Basic information
- Standard SMILES
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
RYUPSALTJZTBPW-XUCMERPOSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-cyanoandrosta-3,5-diene-17beta-carboxylate
- IUPAC
- methyl (8S,9S,10R,13S,14S,17S)-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Names & synonyms
SCHEMBL8634462RYUPSALTJZTBPW-XUCMERPOSA-NMethyl 3-cyanoandrosta-3,5-diene-17beta-carboxylate
Database identifiers
- PubChem CID
- 67646941
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 711
Related reactions
8 records
Compound notes
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