AG00361G

53-16-7 | 1,3,5(10)-Estratrien-3-Ol-17-One

AG00361G

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CAS Number	53-16-7
Catalog Number	AG00361G(AGN-PC-0OBU4X)
Chemical Name	1,3,5(10)-Estratrien-3-Ol-17-One
EC Number	200-164-5
IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChI Key	DNXHEGUUPJUMQT-CBZIJGRNSA-N
MDL Number	MFCD00003620
Molecular Formula	C18H22O2
Molecular Weight	270.3661
SMILES	C[C@]2([C@](CC4)([H])[C@]1([H])CCC3=C(C=CC(O)=C3)[C@]([H])1CC2)C4=O
UNII	2DI9HA706A
Synonyms	Estrone, Estrone, (+-)-Isomer, Estrone, (8 alpha)-Isomer, Estrone, (9 beta)-Isomer, Estrovarin, Folliculin, Kestrone, Unigen, Wehgen, estrone, 53-16-7, folliculin, OESTRONE, Theelin, estrovarin, Estrugenone, follicular hormone, Kestrone, Estron, Follicunodis, Aquacrine, Destrone, Disynformon, Folliculine, Glandubolin, Hiestrone, Hormestrin, Oestroform, Oestronum, Oestroperos, Thelykinin, Femidyn, Folipex, Folisan, Kolpon, Menagen, Oestrin, Unden, Ketohydroxyestrin, Estrone-A, Ketohydroxyoestrin, Endofolliculina, Crinovaryl, Cristallovar, Crystogen, Estrusol, Folikrin, Follestrine, Follestrol, Hormofollin, Hormovarine, Ketodestrin, Menformon, Mestronaq, Ovifollin, Perlatan, Solliculin, Thelestrin, Thynestron, Wynestron, Tokokin, 3-Hydroxyestra-1,3,5(10)-trien-17-one, Ketohydroxy-Estratriene, Estrona, Estrona [Spanish], Femestrone injection, Folliculine benzoate, Ovex (tablets), Estronum [INN-Latin], estrol, 1,3,5(10)-Estratrien-3-ol-17-one, Estrona [INN-Spanish], Estrogenic Substance, Estronum, Fem-O-Gen, 3-Hydroxy-17-keto-estra-1,3,5-triene, Estrone [USAN:INN], Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, E(sub 1), 3-Hydroxyestra-1,3,5(10)-triene-17-one, 3-Hydroxy-oestra-1,3,5(10)-trien-17-one, 1,3,5(10)-Oestratrien-3-ol-17-one, 3-Hydroxy-17-keto-oestra-1,3,5-triene, delta-1,3,5-Estratrien-3beta-ol-17-one, delta-1,3,5-estratrien-3-beta-ol-17-one, delta-1,3,5-Oestratrien-3beta-ol-17-one, delta-1,3,5-oestratrien-3-beta-ol-17-one, Unden (pharmaceutical) (VAN), Oestrone [Steroidal oestrogens], 3-Hydroxy-1,3,5(10)-estratrien-17-one, UNII-2DI9HA706A, CCRIS 285, (+)-Estrone, Unden (pharmaceutical), HSDB 3324, NATURAL ESTROGENIC SUBSTANCE-ESTRONE, 3-hydroxy-estra-1,3,5(10)-trien-17-one, NSC 9699, EINECS 200-164-5, (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, BRN 1915077, CHEMBL1405, Fermidyn, Estrin, MLS000028475, 2DI9HA706A, Femestrone inj., CHEBI:17263, DNXHEGUUPJUMQT-CBZIJGRNSA-N, Estrone, 99+%, SMR000058338, DSSTox_CID_2367, DSSTox_RID_76560, DSSTox_GSID_22367, [2,4,6,7-3H]-E1, hydroxyestrones, (9beta,13alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One, Ketophydroxyestrin, WynestronPencap M, (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one, (8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one, Estrone (TN), Estrone (E1), (+/-)-Oestrone, (+/-)-Estrone, Estrone DL-form [MI], (13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, Estrone, (+/-)-, Estrone (JAN/USP/INN), Estrone [USP:INN:BAN], Aquest, CAS-53-16-7, NCGC00015423-03, J3Z, CMC_13458, MFCD00003620, Opera_ID_330, Estrone, >=99%, AC1L1LBE, Prestwick0_000914, Prestwick1_000914, Prestwick2_000914, Prestwick3_000914, Spectrum5_002047, E0026, bmse000549, E 9750, EC 200-164-5, Lopac0_000513, SCHEMBL21702, BSPBio_000788, 19973-76-3, 3-08-00-01171 (Beilstein Handbook Reference), MLS001077340, MLS002695951, MLS006011890, BIDD:ER0145, SPBio_002977, BPBio1_000868, GTPL2818, MEGxm0_000444, SGCUT00128, DTXSID4022367, Estrone 1.0 mg/ml in Methanol, ACon0_000083, ACon1_000122, BDBM17289, CTK7J9741, [2,4,6,7-3H]-Estrone, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (+/-)-, HMS1570H10, HMS2090E22, HMS2097H10, HMS2232O15, HMS3261H07, HMS3714H10, ACT02603, BCP13336, HY-B0234, to_000049, Tox21_113567, Tox21_201375, Tox21_303651, Tox21_500513, AN-195, BBL033470, BL-090, LMST02010004, s1665, STK801833, ZINC13509425, AKOS005622512, AKOS007930641, Tox21_113567_1, AC-1395, ACN-032012, CCG-204604, CS-2202, DB00655, DS-6316, EBD2157889, Estrone 100 microg/mL in Acetonitrile, LP00513, SMP1_000123, NCGC00023643-03, NCGC00023643-04, NCGC00023643-05, NCGC00023643-06, NCGC00023643-07, NCGC00023643-08, NCGC00023643-09, NCGC00023643-10, NCGC00023643-11, NCGC00023643-12, NCGC00023643-13, NCGC00023643-15, NCGC00179433-01, NCGC00179433-02, NCGC00179433-03, NCGC00257402-01, NCGC00258926-01, NCGC00261198-01, AJ-63983, BC676705, Estrone, meets USP testing specifications, LS-64884, D1,3,5(10)-Estratrien-3-ol-17-one, AB2000203, 3-Hydroxyestra-1(10),2,4-trien-17-one, 3-hydroxyl-1,3,5(10)-estratien-17-one, 3-Hydroxyoestra-1,3,5(10)-trien-17-one, AB00382990, Estrone, VETRANAL(TM), analytical standard, EU-0100513, ST24046696, 3-hydroxy-estra-1,3,5(10)-triene-17-one, C00468, D00067, X-1332, AB00382990-16, AB00382990-17, AB00382990_18, estra-1(10),2,4-trien-17-one, 3-hydroxy-, 003E620, SR-01000000085, SR-01000075867, Q-201073, SR-01000000085-3, SR-01000075867-1, BRD-K81839095-001-04-6, BRD-K81839095-001-30-1, 86C77018-146D-4603-ACEA-CA0D8C4F1E2C, Estrone, European Pharmacopoeia (EP) Reference Standard, Z1695906713, UNII-X9XKA379T9 component DNXHEGUUPJUMQT-CBZIJGRNSA-N, Estrone, United States Pharmacopeia (USP) Reference Standard, Estrone, Pharmaceutical Secondary Standard; Certified Reference Material, Estrone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2,4,6-trien-14-one, (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2,4,6-trien-14-one, E1, Esterone, Unigen, Wehgen, Ovex, oestron, progynon, Menformon A, Follidrin, Oestrogen, Penncap M, estron-, Oestrone, Estrone, Sinafid M-48, Estrone, (+-)-Isomer, Hauck Brand of Estrone, Hyrex Brand of Estrone, Estrone, (9 beta)-Isomer, Vortech Brand of Estrone, Estrone, (8 alpha)-Isomer, UNII-X9XKA379T9, D00ZFP, Estrone, 99% - 1G 1g, GSS 33, X9XKA379T9, C18H22O2, CID5870, NSC9699, 1,3,5-Estratrien-3-ol-17-one, C18-H22-O2, CS-O-10855, Estrone (<lt/> 100 microg/ml) in methanol, D004970, D006894, Estra-1, 3,5 (10)-trien-17-ona, 3-hidroxi-, ESO,

Complexity	418
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	270.162g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.372g/mol
Monoisotopic Mass	270.162g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H225-H301+H311+H331-H370-H351-H360-H362
Packing Group
Precautionary statements	P210-P260-P280-P301+P310-P311-P301+P310+P330-P302+P352+P312-P370+P378-P201-P263-P281-P308+P313
UN Code	\N

Certificate of Analysis

Lot Number