Cas no 28840-96-2 (Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)-)
28840-96-2 structure
Product Name:Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)-
CAS No:28840-96-2
MF:C19H24O3
MW:300.392066001892
CID:274417
PubChem ID:21122715
Update Time:2025-04-19
Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)- Chemical and Physical Properties
Names and Identifiers
-
- Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)-
- 12-hydroxyandrosta-1,4-diene-3,17-dione
- 12β-hydroxy-1,4-androstadiene-3,17-dione
- 12β-Hydroxy-19-nortestosteron
- 12β-Hydroxy-19-nor-testosteron
- 12β-hydroxyandosta-1,4-dien-3,17-dione
- 12β-Hydroxy-androsta-1,4-dien-3,17-dion
- 12β-hydroxyandrosta-1,4-dien-3,17-dione
- AC1L70MX
- NSC527116
- 12-Ohdd
- Androsta-1,4-diene-3,17-dione, 12-hydroxy-, (12beta)-
- 28840-96-2
- SCHEMBL10883692
- (8R,9S,10R,12R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
- 12beta-hydroxyandrost-1,4-dien-3,17-dione
-
- Inchi： 1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-15,17,22H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
- InChI Key： ZHWCPUFUYVTHSO-KCZNZURUSA-N
- SMILES： O[C@@H]1C[C@@H]2[C@]3(C=CC(C=C3CC[C@H]2[C@@H]2CCC([C@]21C)=O)=O)C
Computed Properties
- Exact Mass: 300.17300
- Monoisotopic Mass: 300.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 616
- 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: 2.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37000
- LogP: 2.83420
Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)- Related Literature
-
1. Novel microbial transformation of deoxycholic acidPeter J. Barnes,J. David Baty,Rodney F. Bilton,Arthur N. Mason J. Chem. Soc. Chem. Commun. 1974 115
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