Basic information
- Standard SMILES
C[C@]12CCC(=O)C3OC31CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C[C@@H]3C[C@]312- InChIKey
UUJPTQAKCXODMG-GBMLZTHKSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 17beta-Hydroxy-4,5-epoxy-14alpha,15alpha-methylene-androstan-3-one
- IUPAC
- (1S,2R,11R,12S,14S,16S,17S)-16-hydroxy-2,17-dimethyl-7-oxahexacyclo[9.8.0.02,8.06,8.012,14.012,17]nonadecan-5-one
Names & synonyms
SCHEMBL5383475UUJPTQAKCXODMG-GBMLZTHKSA-N17beta-hydroxy-4,5-epoxy-14alpha,15alpha-methylene-androstan-3-one
Database identifiers
- PubChem CID
- 87828496
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 630
Related reactions
4 records
Compound notes
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