Cas no 66791-83-1 (Androstan-17-one,3,16-dihydroxy-, (3a,5a,16b)- (9CI))
66791-83-1 structure
Product Name:Androstan-17-one,3,16-dihydroxy-, (3a,5a,16b)- (9CI)
CAS No:66791-83-1
MF:C19H30O3
MW:306.439706325531
CID:521178
PubChem ID:191817
Update Time:2025-04-19
Androstan-17-one,3,16-dihydroxy-, (3a,5a,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androstan-17-one,3,16-dihydroxy-, (3a,5a,16b)- (9CI)
- (3R,5S,8R,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- 16beta-Hydroxyandrosterone
- Androstan-17-one, 3,16-dihydroxy-, (3alpha,5alpha,16beta)-
- SCHEMBL1418641
- 3-alpha,16beta-Dihydroxyandrostan-17-one
- DTXSID70985355
- 3,16-dihydroxyandrostan-17-one
- 66791-83-1
-
- Inchi： 1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16-,18-,19-/m0/s1
- InChI Key： HLQYTKUIIJTNHH-RWUIUEHLSA-N
- SMILES： O[C@@H]1C([C@@]2(C)CC[C@@H]3[C@@]4(C)CC[C@H](C[C@@H]4CC[C@H]3[C@@H]2C1)O)=O
Computed Properties
- Exact Mass: 306.2196
- Monoisotopic Mass: 306.219495
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 489
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 57.5
Experimental Properties
- Density: 1.158
- Boiling Point: 454.7°C at 760 mmHg
- Flash Point: 242.9°C
- Refractive Index: 1.556
- PSA: 57.53
Androstan-17-one,3,16-dihydroxy-, (3a,5a,16b)- (9CI) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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