3-Oxo-4,5-epoxyandrostan-17-yl acetate
Basic information
- CAS
5012-85-1- Standard SMILES
CC(=O)OC1CCC2C3CCC45OC4C(=O)CCC5(C)C3CCC12C- InChIKey
ZVCXCQZLHLJONJ-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 3-Oxo-4,5-epoxyandrostan-17-yl acetate
- IUPAC
- (2,16-dimethyl-5-oxo-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl) acetate
Names & synonyms
5012-85-13-oxo-4,5-epoxyandrostan-17-yl acetateNSC118774DTXSID90964521NSC-118774
Database identifiers
- CAS
5012-85-1- PubChem CID
- 273501
- DTXSID
DTXSID90964521
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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