Basic information
- CAS
33644-98-3- Standard SMILES
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C- InChIKey
SLUAZVOMUQETBY-UHFFFAOYSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384476
Names & identifiers
- Preferred name
- 3-Oxoandrosta-4,9(11)-dien-17-yl acetate
- IUPAC
- (10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Names & synonyms
NSC23266533644-98-3DTXSID00310838NSC-2326653-Oxoandrosta-4,9(11)-dien-17-yl acetate
Database identifiers
- CAS
33644-98-3- PubChem CID
- 314583
- DTXSID
DTXSID00310838
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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