Basic information
- Standard SMILES
C[C@]12CCC(OCc3ccccc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
DKOJBAHZSOFVBL-UGXFHABESA-N- Molecular formula
- C26H34O2
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxyandrost-5-en-17-one
- IUPAC
- (8R,9S,10R,13S,14S)-10,13-dimethyl-3-phenylmethoxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
SCHEMBL96378123-benzyloxyandrost-5-en-17-oneDKOJBAHZSOFVBL-UGXFHABESA-N
Database identifiers
- PubChem CID
- 53764909
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Related reactions
1 records
Compound notes
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