Basic information
- CAS
2189-83-5- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CC[C@@H]2O- InChIKey
FNRMBSNOUHBOND-CTPLVLMWSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Overview
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- 4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
- IUPAC
- (1S,2R,6R,8R,11S,12S,15S,16S)-15-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
Names & synonyms
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one2189-83-54beta,5beta-EpoxytestosteroneCHEMBL3137915CHEBI:79788DTXSID301244331NSC68279NSC-68279(1S,2R,6R,8R,11S,12S,15S,16S)-15-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one17beta-Hydroxy-4beta,5beta-4,5-epoxyandrostan-3-oneQ27148922(4I(2),5I(2),17I(2))-4,5-Epoxy-17-hydroxyandrostan-3-one
Database identifiers
- CAS
2189-83-5- PubChem CID
- 249698
- DTXSID
DTXSID301244331- ChEMBL
CHEMBL3137915- ChEBI
CHEBI:79788- Nikkaji
- J690.753I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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