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AG003AAT
50-27-1 | (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol
![Chemical structure of (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol, CAS 50-27-1](https://api.angenesci.com/structure/1119/50-27-1.png)
AG003AAT
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| CAS Number | 50-27-1 |
| Catalog Number | AG003AAT(AGN-PC-0OB9SG) |
| Chemical Name | (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol |
| EC Number | 200-022-2 |
| IUPAC Name | (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
| InChI | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChI Key | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| MDL Number | MFCD00003691 |
| Molecular Formula | C18H24O3 |
| Molecular Weight | 288.3814 |
| NSC Number | 12169 |
| SMILES | OC(C=C1)=CC2=C1[C@@]3([H])CC[C@]4(C)[C@@H](O)[C@H](O)C[C@@]4([H])[C@]3([H])CC2 |
| UNII | FB33469R8E |
| Synonyms | (16alpha,17beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol,
(16beta,17beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol,
16 alpha Hydroxy Estradiol,
16-alpha-Hydroxy-Estradiol,
16alpha,17beta Estriol,
16alpha,17beta-Estriol,
16beta Hydroxy Estradiol,
16beta-Hydroxy-Estradiol,
Epiestriol,
Estra-1,3,5(10)-Triene-3,16beta,17beta-Triol,
Estriol,
Ovestin,
estriol,
Oestriol,
50-27-1,
Estratriol,
Ovestin,
Ovestrion,
Trihydroxyestrin,
Destriol,
Tridestrin,
Aacifemine,
Oestratriol,
Orestin,
Theelol,
16alpha-Hydroxyestradiol,
Ortho-Gynest,
Deuslon-A,
Hemostyptanon,
Hormomed,
Klimoral,
Oestriolum,
Orgastyptin,
Overstin,
Thulol,
Triovex,
Holin,
16alpha,17beta-Estriol,
Gynaesan,
Hormonin,
Stiptanon,
Synapause,
Triodurin,
Estriel,
Trihydroxyoestrin,
Follicular hormone hydrate,
Estriolo [Italian],
16alpha-Hydroxyoestradiol,
16-alpha-Hydroxyestradiol,
16alpha,17beta-Oestriol,
16-alpha,17-beta-Estriol,
16-alpha,17-beta-Oestriol,
Estriolo,
Estriol, unconjugated,
16-alpha-Hydroxyoestradiol,
Deuslon A,
3,16alpha,17beta-Estriol,
16alpha-Hydroxy-17beta-estradiol,
3,16-alpha,17-beta-Estriol,
3,16-alpha,17-beta-Oestriol,
(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol,
NSC-12169,
3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene,
16.alpha.-Estriol,
Colpogyn,
Gynasan,
Incurin,
Ovesterin,
1,3,5-Estratriene-3beta,16alpha,17beta-triol,
Ovo-vinces,
1,3,5-Oestratriene-3beta,16alpha,17beta-triol,
A 13610,
Klimax E,
Estra-1,3,5(10)-trien-3,16alpha,17beta-triol,
16.alpha.-Hydroxyestradiol,
Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol,
16.alpha.-Hydroxyoestradiol,
3,16alpha,17beta-Trihydroxy-delta-1,3,5-oestratriene,
3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene,
3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene,
3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene,
3,16-alpha,17-beta-Trihydroxyoestra-1,3,5(10)-triene,
CCRIS 284,
UNII-FB33469R8E,
(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol,
Oestriol [Steroidal oestrogens],
16.alpha.,17.beta.-Estriol,
16.alpha.,17.beta.-Oestriol,
CHEBI:27974,
Estra-1,3,5(10)-triene-3,16alpha,17beta-triol,
HSDB 3590,
Oestra-1,3,5(10)-triene-3,16-alpha,17-beta-triol,
C18H24O3,
EINECS 200-022-2,
NSC 12169,
OE3,
1,3,5(10)-Estratriene-3,16alpha,17beta-Triol,
1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL,
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol,
16.alpha.-Hydroxy-17.beta.-estradiol,
BRN 2508172,
3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene,
Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)-,
PROQIPRRNZUXQM-ZXXIGWHRSA-N,
FB33469R8E,
NSC12169,
ESL,
Estriol, 97%,
Estra-1,3,5(10)-triene-3,16,17-triol,
DSSTox_CID_2366,
DSSTox_RID_76559,
DSSTox_GSID_22366,
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol,
Estra-1,3,5(10)-triene-3,16,17-triol, (16a,17b)-,
3,16.alpha.,17.beta.-Estriol,
Estriol [USAN:JAN],
Folicular hormone,
(8R,9S,13S,14S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol,
3,17.beta.-Estriol,
Estriel (TN),
16-Hydroxyestradiol,
SR-01000721851,
1,3,5(10)-Estratriene-3,16.alpha.,17.beta.-triol,
Estra-1,3,5(10)-trien-3,16.alpha.,17.beta.-triol,
Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol,
1,3,5-Estratriene-3.beta.,16-.alpha.,17-.beta.-triol,
1,3,5-Oestratriene-3-.beta.,16.alpha.,17.beta.-triol,
3,16.alpha.,17.beta.-Trihydroxy-1,3,5(10)-estratriene,
3,16.alpha.,17.beta.-Trihydroxyestra-1,3,5(10)-triene,
Oestra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol,
3,16.alpha.,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene,
Ovestinon,
Trimesta,
3,16.alpha.,17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene,
(16.alpha.,17.beta.)-Estra-1,3,5(10)-triene-3,16,17-triol,
(16.alpha.,17.beta.)-Oestra-1,3,5(10)-triene-3,16,17-triol,
Estriol [USP:INN:BAN:JAN],
3,16-.alpha.,17-.beta.-Oestriol,
Estriol(Oestriol),
Holin V,
CAS-50-27-1,
16a-Estriol,
NCGC00166111-01,
16a-Hydroxyestradiol,
16a,17b-Estriol,
Estriol, 98%,
Estriol, >=97%,
ESTRIOL PROPIONATE,
3,16a,17b-Estriol,
Prestwick0_001096,
Prestwick1_001096,
Prestwick2_001096,
Prestwick3_001096,
Estriol (JP17/USP),
E0218,
Epitope ID:140131,
1,3,5(10)-Estratrien-3,16.alpha.,17.beta.-triol,
AC1L1L2H,
Estra-1,3,5(10)-triene-3,16-.alpha., l7-.beta.-triol,
SCHEMBL78033,
BSPBio_001172,
3,16-.alpha.,17-.beta.-Trihydroxyoestra-1,3,5(10)-triene,
4-06-00-07550 (Beilstein Handbook Reference),
MLS000069812,
BIDD:ER0124,
SPBio_003056,
BPBio1_001290,
CHEMBL193482,
GTPL2821,
DTXSID9022366,
Estriol 1.0 mg/ml in Methanol,
HMS1571K14,
HMS2090E20,
HMS2098K14,
HMS2234A18,
HMS3715K14,
BCP23357,
HY-B0412,
ZINC3815418,
Tox21_112320,
Tox21_301604,
16-alpha-Hydroxy-17-beta-estradiol,
BDBM50410506,
LMST02010003,
MFCD00003691,
s2466,
AKOS015894926,
Tox21_112320_1,
BCP9000661,
CCG-221096,
CS-2516,
DB04573,
Estriol 100 microg/mL in Acetonitrile,
Estriol, purum, >=97.0% (HPLC),
MCULE-4009524570,
RP17627,
SMP1_000122,
NCGC00166111-02,
NCGC00179277-01,
NCGC00255193-01,
NCGC00274080-01,
AN-15087,
AS-13735,
Estriol, meets USP testing specifications,
LS-64877,
SC-12123,
SMR000059210,
BCP0726000219,
AB0106020,
AB2000578,
TR-017976,
AB00514045,
B1507,
Estriol, VETRANAL(TM), analytical standard,
WLN: L E5 B666TTT&J E1 FQ GQ OQ,
C05141,
D00185,
Estra-1,3,5(10)-triene-3,16a,17b-triol,
J10208,
3,16a,17b-Trihydroxyestra-1,3,5(10)-triene,
3,17.beta.-Trihydroxy-1,3,5(10)-estratriene,
3,17.beta.-Trihydroxyestra-1,3,5(10)-triene,
AB00514045-08,
AB00514045-09,
AB00514045_10,
(16.alpha.,3,5(10)-triene-3,16,17-triol,
003E691,
3,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene,
3,17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene,
Q-201072,
SR-01000721851-3,
SR-01000721851-4,
1,5(10)-Estratriene-3,16.alpha., 17.beta.-triol,
1,5(10)-Estratriene-3,16.alpha.,17.beta.-triol,
3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene,
BRD-K17016787-001-03-5,
BRD-K17016787-001-16-7,
Estra-1,5(10)-trien-3,16.alpha.,17.beta.-triol,
Estra-1,5(10)-triene-3,16.alpha.,17.beta.-triol,
1,5-Estratriene-3.beta.,16-.alpha.,17-.beta.-triol,
1,5-Oestratriene-3-.beta.,16.alpha.,17.beta.-triol,
13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol,
Estra-1,5(10)-trien-3,16.alpha., 17.beta.-triol,
Estra-1,5(10)-triene-3,16.alpha., 17.beta.-triol,
Estriol, European Pharmacopoeia (EP) Reference Standard,
Oestra-1,5(10)-triene-3,16.alpha., 17.beta.-triol,
Oestra-1,5(10)-triene-3,16.alpha.,17.beta.-triol,
6EC6F23B-A991-4606-8BC7-146D915DAB31,
Estriol, United States Pharmacopeia (USP) Reference Standard,
estra-1(10),2,4-triene-3,16,17-triol, (16alpha,17beta)-,
Estra-1,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-,
(9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol,
Estriol for system suitability, European Pharmacopoeia (EP) Reference Standard,
Estriol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material,
(13S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol,
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol,
Epiestriol,
OeKolp,
Colpovister,
oestriol-,
16-Epiestriol,
16,17-Epiestriol,
ESTETROL,
ESTRIOL SUCCINATE,
16alpha,17beta Estriol,
16beta Hydroxy Estradiol,
16beta-Hydroxy-Estradiol,
Estriol (JP15/USP),
D0Z1FX,
16 alpha Hydroxy Estradiol,
16-alpha-Hydroxy-Estradiol,
ESTRIOL ACETATE BENZOATE,
CID5756,
ACN-032018,
C18-H24-O3,
1,3,5-estratriene-3beta,16alpha,17-beta-triol,
D004964,
Estra-1,3,5(10)-triene-3,16beta,17beta-triol,
Estra-1,3,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-,
1,3,5(10)-Estratriene-3,16.alpha., 17.beta.-triol,
Estra-1,3,5(10)-trien-3,16.alpha., 17.beta.-triol,
Estra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol,
Oestra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol,
(16beta,17beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol,
Estra-1,3,5(10)-trieno-3,16,17-triol, (16?,17?)-,
(16-alpha,17-beta)-Estra-1,3,5(10)-triene-3,16,17-triol,
1306-04-3,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.387g/mol |
| Monoisotopic Mass | 288.173g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |    |
| Hazard Class | 9 |
| Hazard statements | H302-H351-H360-H410 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P273-P281-P308+P313 |
| UN Code | UN 3077 |
Certificate of Analysis
Lot Number
Related Research Chemicals
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited