Basic information
- Standard SMILES
C[C@]12CC[C@H](O)CC1=C[C@H](O)[C@H]1[C@@H]3[C@@H]4C[C@@H]4C(=O)[C@@]3(C)CC[C@@H]12- InChIKey
IKQGZGPQJWRSDS-FRCVCSJRSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 3beta,7beta-Dihydroxy-15beta,16beta-methylene-5-androsten-17-one
- IUPAC
- (1R,2S,3S,5S,7S,10S,11R,14S,18R)-14,18-dihydroxy-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-16-en-6-one
Names & synonyms
SCHEMBL10892234IKQGZGPQJWRSDS-FRCVCSJRSA-N3beta,7beta-dihydroxy-15beta,16beta-methylene-5-androsten-17-one
Database identifiers
- PubChem CID
- 44520204
- Nikkaji
- J2.320.816D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 610
Related reactions
4 records
Compound notes
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