Basic information
- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1- InChIKey
OPILDTWOQIIZJT-JIDKQBQLSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 3beta-Acetoxyandrostane-7,17-dione
- IUPAC
- [(3S,8R,9S,10S,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
SCHEMBL4347809OPILDTWOQIIZJT-JIDKQBQLSA-N3beta-acetoxyandrostane-7,17-dione
Database identifiers
- PubChem CID
- 69011313
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 625
Related reactions
6 records
Compound notes
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