AG0034TI

50-28-2 | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

AG0034TI

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CAS Number	50-28-2
Catalog Number	AG0034TI(AGN-PC-0S7GCK)
Chemical Name	(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
EC Number	200-023-8
IUPAC Name	(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChI Key	VOXZDWNPVJITMN-ZBRFXRBCSA-N
MDL Number	MFCD00003693
Molecular Formula	C18H24O2
Molecular Weight	272.3820
NSC Number	9895
SMILES	C[C@@]12CC[C@@H]3C4=CC=C(C=C4CC[C@H]3[C@@H]2CC[C@@H]1O)O
UNII	4TI98Z838E
Synonyms	17 beta Estradiol, 17 beta Oestradiol, 17 beta-Estradiol, 17 beta-Oestradiol, Aerodiol, Delestrogen, Estrace, Estraderm TTS, Estradiol, Estradiol 17 alpha, Estradiol 17 beta, Estradiol 17beta, Estradiol Anhydrous, Estradiol Hemihydrate, Estradiol Hemihydrate, (17 alpha)-Isomer, Estradiol Monohydrate, estradiol valerate, estradiol valeriante, Estradiol, (+-)-Isomer, Estradiol, (-)-Isomer, Estradiol, (16 alpha,17 alpha)-Isomer, Estradiol, (16 alpha,17 beta)-Isomer, Estradiol, (17-alpha)-Isomer, Estradiol, (8 alpha,17 beta)-(+-)-Isomer, Estradiol, (8 alpha,17 beta)-Isomer, Estradiol, (9 beta,17 alpha)-Isomer, Estradiol, (9 beta,17 beta)-Isomer, Estradiol, Monosodium Salt, Estradiol, Sodium Salt, Estradiol-17 alpha, Estradiol-17 beta, Estradiol-17beta, Oestradiol, Ovocyclin, Progynon Depot, Progynon-Depot, Progynova, Vivelle, estradiol, beta-Estradiol, 50-28-2, 17beta-Estradiol, Oestradiol, Dihydrofolliculin, Estrace, Ovocyclin, progynon, Dihydrotheelin, Dihydroxyestrin, Aquadiol, Diogynets, Gynergon, Gynoestryl, Vivelle, Diogyn, Oestroglandol, Aerodiol, Corpagen, Dimenformon, Estrovite, Femestral, Follicyclin, Ginosedol, Macrodiol, Oestergon, Ovahormon, Ovasterol, Ovastevol, Perlatanol, Primofol, Profoliol, Altrad, Bardiol, Climara, Divigel, Evorel, Femogen, Lamdiol, Syndiol, Vagifem, Dihydromenformon, estradiol-17beta, cis-Estradiol, Estraderm TTS, Estraderm, Estraldine, Estroclim, Trocosone, Estrogel, Menorest, Nordicol, Zumenon, Systen, D-Oestradiol, D-Estradiol, Progynon DH, Climaderm, Compudose, Dermestril, Estrasorb, Ovocycline, Encore, Estring, Menest, Oesclim, Dihydroxyoestrin, SK-Estrogens, Progynon-DH, Gynestrel, Microdiol, Oestrogynal, Ovociclina, Ovocylin, Tradelia, Estroclim 50, Innofem, Macrol, Zerella, 17beta-Oestradiol, Alora, Oestradiol R, Estring vaginal ring, Dihydrofollicular hormone, Trial SAT, Theelin, dihydro-, Elestrin, Estreva, Estrifam, Extrasorb, Fempatch, Femtran, Ginedisc, Gynodiol, Oestrogel, Esclim, Compudose 200, Compudose 365, GynPolar, Estrofem Forte, Profoliol B, Sandrena Gel, Sisare Gel, Estrofem 2, Oestradiolum, Estradiol-17-beta, Estradiolum, Estradot, Gelestra, 3,17-Epidihydroxyestratriene, Evamist, Zesteem, Dihydroxyesterin, cis-Oestradiol, Estraderm TTS 50, Climara Forte, Estrogens, esterified, Oestradiol Berco, Estraderm MX, VIVELLE-DOT, Epiestriol 50, 17beta oestradiol, Oestradiol-17beta, Estrapak 50, 17-beta-estradiol, 17 beta-Estradiol, Estradiol-17 beta, Estradiolum [INN], Estradiolo [DCIT], Oestradiol-17-beta, Amnestrogen, Femanest, Femestrol, Estra-1,3,5(10)-triene-3,17beta-diol, Estradiol-3,17beta, B-Estradiol, 17-beta-OH-estradiol, 3,17-beta-Estradiol, NSC-9895, 3,17-beta-Oestradiol, 3,17-Epidihydroxyoestratriene, D-3,17beta-Estradiol, 17b-Oestradiol, Sandrena 1, E(sub 2), Estraderm (TN), [3H]-estradiol, Estrogel (TN), Climara (TN), Divigel (TN), Estrace (TN), Estring (TN), Innofem (TN), Vagifem (TN), Vivelle (TN), 17.beta.-Estradiol, 17.beta.-Oestradiol, 17-beta-OH-oestradiol, 3,17.beta.-Estradiol, D-3,17beta-Oestradiol, Estrodiolum [INN-Latin], (17beta)-Estra-1,3,5(10)-triene-3,17-diol, D-3,17-beta-Estradiol, D-3,17-beta-Oestradiol, .beta.-Estradiol, .beta.-Oestradiol, [3H]]estradiol, 17|A-Oestradiol, CCRIS 280, UNII-4TI98Z838E, Estradiol, .beta.-, Estradiol-17.beta., CHEBI:16469, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, Oestradiol-17.beta., HSDB 3589, ESTRADIOL HEMIHYDRATE, Oestra-1,3,5(10)-triene-3,17beta-diol, C18H24O2, Estrasorb (TN), 17.beta.-OH-estradiol, 17.beta.-OH-oestradiol, 17beta estradiol (E2), EINECS 200-023-8, 17beta-Estra-1,3,5(10)-triene-3,17-diol, 1,3,5-Estratriene-3,17-beta-diol, CHEMBL135, D-3,17.beta.-Estradiol, Dimenformon prolongatum, D-3,17.beta.-Oestradiol, 3,17beta-Dihydroxyestra-1,3,5-triene, Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3,17beta-Dihydroxyoestra-1,3,5-triene, 3,17-beta-Dihydroxyoestra-1,3,5-triene, MLS000069494, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estra-1,3,5(10)-triene-3,17-beta-diol, Oestra-1,3,5(10)-triene-3,17-beta-diol, 3,17-beta-Dihydroxyestra-1,3,5(10)-triene, 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene, VOXZDWNPVJITMN-ZBRFXRBCSA-N, 17-beta-Estra-1,3,5(10)-triene-3,17-diol, 17beta-Oestra-1,3,5(10)-triene-3,17-diol, 4TI98Z838E, (17beta)-estra-1(10),2,4-triene-3,17-diol, 17-beta-Oestra-1,3,5(10)-triene-3,17-diol, 1,3,5-Estratriene-3,17beta-diol, [3H]E2, MFCD00003693, NCGC00091544-04, beta-Estradiol, 98%, Estrodiolum, Polyestradiol, Estradiolo, SMR000059126, 3,17b-Dihydroxyestra-1,3,5(10)-triene, DSSTox_CID_573, 3,17beta-Dihydroxy-1,3,5(10)-estratriene, 3,17beta-Dihydroxyestra-1,3,5(10)-triene, DSSTox_RID_75666, Benzogynestry, DSSTox_GSID_20573, Estropause, Estasorb, (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, [2,4,6,7-3H]-E2, E 2, E2, Oestradiol-17beta and esters [Steroidal oestrogens], Destradiol, Minivelle, Yuvvexy, Zesteen, Estradiol [USAN:INN], 17b-Estradiol, Activella (Salt/Mix), Combipatch (Salt/Mix), (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol, component of Menrium, Estradiol-17 alpha, Climara Pro (Salt/Mix), 3,17beta-Estradiol, 3,17-.beta.-Oestradiol, Estraderm TTS 100, 3,3,5(10)-triene, SR-01000075866, 17-.BETA.-Estradiol, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, (+)-3,17.beta.-Estradiol, oestrodiol, Estradiol [USP:INN:BAN], Elestrim, delta-Estradiol, dihydro-Theelin, delta-Oestradiol, TX-004HR, Estradiol complex, UNII-125DP6010H, Estrogel HBF, 1jgl, 1lhu, 1qkt, 1qku, [3H]estradiol, Climara, Menostar, 1,3,5-Estratriene-3,17.beta.-diol, CAS-50-28-2, .alpha.-Oestradiol, CPD000059126, Prestwick_207, 3,17b-Estradiol, Bio-E-Gel, Fem7, [3H]-Estrogen, 17 ?-Estradiol, 3,17.beta.-Dihydroxyestra-1,3,5-triene, 3,17.beta.-Dihydroxyoestra-1,3,5-triene, CMC_11154, 17-beta, 1,3,5,(10)-Estratrien-3,17.beta.-diol, SL-1100, Estra-1,3,5(10)-triene-3,17.beta.-diol, Oestra-1,3,5(10)-triene-3,17.beta.-diol, 2j7x, 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene, 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene, 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene, 3,3,5-triene, [3H]17beta-estradiol, (17?)-Estra-1,3,5(10)-triene-3,17-diol, 17.beta.-Estra-1,3,5(10)-triene-3,17-diol, 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol, Opera_ID_1688, Prestwick0_000441, Prestwick1_000441, Prestwick2_000441, Prestwick3_000441, Spectrum5_002055, 17beta-estradiol (E2), E0025, alpha-estradiol (obsolete), beta-Estradiol, >=98%, bmse000642, Epitope ID:136018, (+)-3,17b-Estradiol, E 8875, EC 200-023-8, AC1L1L2K, SCHEMBL8049, (+)-3,17beta-Estradiol, Estradiol (JAN/USP/INN), BIDD:PXR0065, Lopac0_000503, S-21400, BSPBio_000482, BSPBio_001065, KBioGR_000405, KBioGR_002269, KBioSS_000405, KBioSS_002270, Oestradiol-17beta and esters, MLS000758312, MLS001076331, MLS001424022, BIDD:ER0125, SPBio_002421, BPBio1_000532, GTPL1012, GTPL1013, DTXSID0020573, BDBM17292, KBio2_000405, KBio2_002269, KBio2_002973, KBio2_004837, KBio2_005541, KBio2_007405, KBio3_000769, KBio3_000770, KBio3_002749, AOB5963, NSC9895, 1a52, 1g50, 2d06, cMAP_000005, Bio1_000403, Bio1_000892, Bio1_001381, Bio2_000363, Bio2_000843, HMS1362E07, HMS1569I04, HMS1792E07, HMS1990E07, HMS2051C17, HMS2090E18, HMS2096I04, HMS2236H04, HMS3261F07, HMS3403E07, HMS3713I04, beta-Estradiol, analytical standard, (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, ACN-S003579, BCP08579, HY-B0141, Tox21_111148, Tox21_202057, Tox21_300288, Tox21_500503, 1,5-Estratriene-3,17.beta.-diol, LMST02010001, LS-137, s1709, ZINC13520815, [2,4,6,7-3H]-17beta-estradiol, AKOS015896570, 125DP6010H, AN-6628, CCG-100808, CS-1938, DB00783, LP00503, NC00058, IDI1_002118, SMP1_000121, 1,3,5(10)-estratriene-3,17b-diol, NCGC00091544-00, NCGC00091544-01, NCGC00091544-02, NCGC00091544-05, NCGC00091544-06, NCGC00091544-07, NCGC00091544-09, NCGC00091544-10, NCGC00091544-11, NCGC00091544-12, NCGC00091544-13, NCGC00091544-14, NCGC00091544-15, NCGC00091544-16, NCGC00179321-01, NCGC00179321-02, NCGC00254177-01, NCGC00259606-01, NCGC00261188-01, 17-E, 73459-61-7, AC-22346, AJ-64042, AS-13729, BC200811, SC-25771, Estra-1,3,5(10)-triene-3,17b-diol, Oestra-1,3,5(10)-triene-3,17b-diol, WLN: L E5 B666TTT&J E1 FQ OQ, AB0012866, AB2000237, Estra-1,5(10)-triene-3,17.beta.-diol, Estradiol, meets USP testing specifications, 3,17beta-dihydroxyestra-1,3,5(10)-trien, Estra-1,3,5(10)-triene -3,17beta-diol, EU-0100503, Oestra-1,5(10)-triene-3,17.beta.-diol, 3,17-dihydroxy-delta(1,3,5-10)-estratriene, C00951, D00105, J10189, Z-4415, (17b)-Estra-1,3,5(10)-triene-3,17-diol, 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol, 17-decahydrocyclopenta[a]phenanthrene-3,17-diol, 17.beta.-Estra-1,5(10)-triene-3,17-diol, 17.beta.-Oestra-1,5(10)-triene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol(17b)-, 003E693, 17-beta-Estradiol 100 microg/mL in Acetonitrile, SR-01000721892, 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol, Estra-1,5(10)-triene-3,17-diol (17.beta.)-, I06-2405, Q-201503, SR-01000075866-1, SR-01000075866-4, SR-01000721892-3, BRD-K18910433-001-04-4, BRD-K18910433-001-43-2, estra-1(10),2,4-triene-3,17-diol, (17beta)-, Estra-1,5(10)-triene-3,17-diol, (17.beta.)-, 17|A-estradiol;oestradiol;17|A-Oestradiol;|A-Estradiol, Z1847670481, B8B5AEF5-4957-49EB-A14F-444A8212C482, beta-Estradiol, BioReagent, powder, suitable for cell culture, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, homopolymer, Estradiol, United States Pharmacopeia (USP) Reference Standard, beta-Estradiol, powder, gamma-irradiated, suitable for cell culture, (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol, Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material, (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol, (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2,4,6-triene-5,14-diol, (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2,4,6-triene-5,14-diol, (8''R'',9''S'',13''S'',14''S'',17''S'')-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[''a'']phenanthrene-3,17-diol, 17beta-Estradiol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, alpha-Estradiol, Agofollin, Combipatch, Estrogen, Menostar, Delestrogen, Activella, Femtrace, |A-Estradiol, Depo-Estradiol, estrol, evex, Climara Pro, Alfatradiol, Estradurin, 17|A-estradiol, Feminone, Oestrogen, Progynova, Ritsifon, Estinyl, Femring, Lynoral, Ricifon, Sotipox, Soldep, estradiol valerate, beta-Oestradiol, estradiol-, Progynon Depot, Progynon-Depot, Ortho-Prefest, alpha-Oestradiol, Mixture Name, ?-Estradiol, Estradiol 17beta, estradiol cypionate, .alpha.-Estradiol, Activella (TN), Estradiol 17B, Progynova (TN), Estradiol Anhydrous, estradiol valeriante, Elestrin (TN), Estradiol - Acrux, Estrofem (TN), Menostar (TN), 17 beta Estradiol, Angeliq (TN), Estradiol 17 beta, Femring (TN), 17 beta Oestradiol, 17 beta-Oestradiol, Estradiol 17 alpha, EvaMist (TN), Estradiol Monohydrate, Vivelle-Dot (TN), Alora (TN), | cent-ESTRADIOL, Estraderm TTS (TN), Estradiol, Sodium Salt, Estradiol acetate (TN), Estrasorb Topical (TN), Estradiol valerate (TN), Estradiol, (-)-Isomer, Estradiol cypionate (TN), Estradiol, (+-)-Isomer, D08QMX, Estradiol, Monosodium Salt, 3,3,5(10)-estratriene, 3,3,5(10)-oestratriene, Estradiol, (17-alpha)-Isomer, CID5757, NSC-20293, Estradiol, (9 beta,17 beta)-Isomer, ACN-032013, C18-H24-O2, CS-O-11584, Estradiol, (8 alpha,17 beta)-Isomer, Estradiol, (9 beta,17 alpha)-Isomer, Estradiol, (16 alpha,17 beta)-Isomer, Estradiol, (16 alpha,17 alpha)-Isomer, H061, Estradiol Hemihydrate, (17 alpha)-Isomer, A8425, Estradiol, (8 alpha,17 beta)-(+-)-Isomer, beta-Estradiol, 99%, Estrogen receptor - 1G 1g, D004958, Estra-1,3,5(10)-triene-3,7-diol(17.beta.)-, Estra-1,3,5(10)-trieno-3,17-diol (17?)-, Estra-1,3,5(10)-triene-3,17-diol, (17.beta.)-, Estradiol (100 - <lt/> 1,000 microg/ml) in acetonitrile, EST, (8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-Methyl-16-(Phenylmethyl)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]phenanthrene-3,17-Diol, 141290-02-0, 17E, 4956-37-0, 6WM,

Complexity	382
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	272.178g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.388g/mol
Monoisotopic Mass	272.178g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H350-H360
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number