Cas no 4075-12-1 (Androsta-1,4,6-trien-3-one,17-hydroxy-, (17b)-)
4075-12-1 structure
Product Name:Androsta-1,4,6-trien-3-one,17-hydroxy-, (17b)-
CAS No:4075-12-1
MF:C19H24O2
MW:284.392665863037
CID:331577
PubChem ID:107499
Update Time:2025-04-19
Androsta-1,4,6-trien-3-one,17-hydroxy-, (17b)- Chemical and Physical Properties
Names and Identifiers
-
- Androsta-1,4,6-trien-3-one,17-hydroxy-, (17b)-
- Androsta-1,4,6-trien-3-one
- (17beta)-17-Hydroxyandrosta-1,4,6-trien-3-one
- Androsta-1,4,6-trien-3-one, 17.beta.-hydroxy-
- Androsta-1,4,6-trien-3-one, 17-hydroxy-, (17.beta.)-
- 1,4,6-Androstatrien-3-one-17.beta.-ol
- 17-Hydroxyandrosta-1,4,6-trien-3-one-, (17.beta.)-
- 17-Hydroxyandrosta-1,4,6-trien-3-one
- 1,4,6-Androstatrien-17.beta.-ol-3-one
- (17.beta.)-17-Hydroxyandrosta-1,4,6-trien-3-one
- 1,4,6-Androstatriene-17b-ol-3-one
- (1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- SCHEMBL18695522
- 1,4,6-Androstatrien-3-one-17 beta-ol
- DTXSID40961166
- 17beta-hydroxyandrost-1,4,6-triene-3-one
- 4075-12-1
- 1,4,6-Androstatrien-3-one-17beta-ol
- WGFQJPRCLLMHRT-DYKIIFRCSA-N
-
- Inchi： 1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-17,21H,5-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
- InChI Key： WGFQJPRCLLMHRT-DYKIIFRCSA-N
- SMILES： O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 284.17772
- Monoisotopic Mass: 284.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Androsta-1,4,6-trien-3-one,17-hydroxy-, (17b)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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