Basic information
- Standard SMILES
C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@@H]12- InChIKey
WVITUWZIAMKPOZ-XKZGAYRXSA-N- Molecular formula
- C20H29NO
- Average molar mass
- 299.4 g/mol
Names & identifiers
- Preferred name
- (2alpha,3alpha,5alpha,17beta)-2,3-Epoxyandrostane-17-carbonitrile
- IUPAC
- (1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecane-15-carbonitrile
Names & synonyms
SCHEMBL8751064WVITUWZIAMKPOZ-XKZGAYRXSA-N(2alpha,3alpha,5alpha,17beta)-2,3-epoxyandrostane-17-carbonitrile
Database identifiers
- PubChem CID
- 86750183
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 549
Related reactions
1 records
Compound notes
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