Cas no 3736-22-9 (Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)-)
3736-22-9 structure
Product Name:Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)-
CAS No:3736-22-9
MF:C18H24O2
MW:272.381965637207
CID:296388
PubChem ID:667515
Update Time:2025-04-19
Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)- Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)-
- (17β)-Estra-1(10),2,4-triene-3,17-diol
- AC1L25C3
- CHEMBL1627567
- Estradiol-16
- Estradiol-16alpha
- Estradiol-16beta
- Estratriene-3,16alpha-diol
- NSC19611
- SureCN3357076
- SCHEMBL7260525
- ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, (8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.)-
- J-855
- ent-Estradiol
- VW299DJ6U7
- 1-Estradiol
- (8alpha,9beta,13alpha,14beta,17alpha)-Estra-1,3,5(10)-triene-3,17-diol
- 8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.-ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL
- 3736-22-9
- Estradiol, (-)-
- DTXSID60912332
- 1-E2
- ENT-17.BETA.-ESTRADIOL
- (-)-ESTRADIOL
- (8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
- ent-17beta-Estradiol
- 8alpha,9beta,13alpha,14beta-Estra-1,3,5(10)-triene-3,17alpha-diol
- UNII-VW299DJ6U7
- Estra-1,3,5(10)-triene-3,17-diol, (8alpha,9beta,13alpha,14beta,17alpha)-
- ent-E2
-
- 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+/m0/s1
- InChI Key： VOXZDWNPVJITMN-QXDIGNSFSA-N
- SMILES： O[C@@H]1CC[C@@H]2[C@H]3CCC4C=C(C=CC=4[C@@H]3CC[C@]21C)O
Computed Properties
- Exact Mass: 272.17772
- Monoisotopic Mass: 272.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)- Related Literature
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
3736-22-9 (Estra-1,3,5(10)-triene-3,17-diol,(8a,9b,13a,14b,17a)-) Related Products
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