Basic information
- Standard SMILES
CC(=O)O[C@@H]1CC2=CC=C3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)[C@@H](OC(C)=O)C1- InChIKey
ZMROBQSZTWKZLW-KHHGUXELSA-N- Molecular formula
- C23H30O5
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- (1alpha,3beta)-1,3-Bis (acetyloxy)androsta-5,7-dien-17-one
- IUPAC
- [(1S,3R,9S,10R,13S,14S)-1-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
ZMROBQSZTWKZLW-KHHGUXELSA-N(1alpha,3beta)-1,3-bis (acetyloxy)androsta-5,7-dien-17-one
Database identifiers
- PubChem CID
- 10475253
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 793
Related reactions
1 records
Compound notes
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