Basic information
- CAS
4758-43-4- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
NJHXENDODLZLSB-SHUFMVBLSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Overview
17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate is an oxo steroid.
Names & identifiers
- Preferred name
- 17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate
- IUPAC
- [(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromen-1-yl] acetate
Names & synonyms
17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate4758-43-4CHEBI:79588NSC81405NSC-81405[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromen-1-yl] acetateQ27148705
Database identifiers
- CAS
4758-43-4- PubChem CID
- 255702
- ChEBI
CHEBI:79588- Nikkaji
- J2.792.299F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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