(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
Basic information
- CAS
120051-39-0- Standard SMILES
C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O- InChIKey
UKVVNEHFNYKGMX-KIVPVIKRSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Names & identifiers
- Preferred name
- (8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
- IUPAC
- (8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
Names & synonyms
NKS-01(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trioneUKVVNEHFNYKGMX-KIVPVIKRSA-NSCHEMBL14075514alpha-hydroxyandrost-4-en-3,6,17-trioneAndrost-4-ene-3,6,17-trione, 14-hydroxy-
Database identifiers
- CAS
120051-39-0- PubChem CID
- 6918079
- Nikkaji
- J356.368E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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