17-Oxo-5,6-epoxyandrostan-3-yl acetate
Basic information
- CAS
14545-93-8- Standard SMILES
CC(=O)OC1CCC2(C)C3CCC4(C)C(=O)CCC4C3CC3OC32C1- InChIKey
RUQCGCWODJEVJZ-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 17-Oxo-5,6-epoxyandrostan-3-yl acetate
- IUPAC
- (2,16-dimethyl-15-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl) acetate
Names & synonyms
14545-93-817-oxo-5,6-epoxyandrostan-3-yl acetateNSC134931DTXSID30932608NSC-1349319a,11b-dimethyl-9-oxohexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
Database identifiers
- CAS
14545-93-8- PubChem CID
- 281920
- DTXSID
DTXSID30932608
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 644
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Compound notes
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