(8S,9R,10S,13S,14S)-4,9-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Basic information
- CAS
6198-48-7- Standard SMILES
C[C@]12CCC(=O)C(O)=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O- InChIKey
DHOBQCDMPDYQPB-LQOLNCQKSA-N- Molecular formula
- C19H26O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18310931
Names & identifiers
- Preferred name
- (8S,9R,10S,13S,14S)-4,9-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
- IUPAC
- (8S,9R,10S,13S,14S)-4,9-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Names & synonyms
NSC3508936198-48-7DTXSID40319800ANDROST-4-ENE-3, DIHYDROXY-NSC-3508934,9-dihydroxyandrost-4-ene-3,17-dione
Database identifiers
- CAS
6198-48-7- PubChem CID
- 336437
- DTXSID
DTXSID40319800
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 635
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Compound notes
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