Basic information
- CAS
97831-31-7- Standard SMILES
CCC[C@]1(O)CC2C3CCC4=CC(=O)CCC4C3CCC2(C)[C@H]1OC(C)=O- InChIKey
BRYMKVQCTXDUJO-XJIMYUCMSA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570956
Names & identifiers
- Preferred name
- 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate
- IUPAC
- [(16S,17R)-16-hydroxy-13-methyl-3-oxo-16-propyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
97831-31-7DTXSID7091363316-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate16alpha-Hydroxy-3-oxo-16beta-propylestr-4-en-17alpha-yl acetate
Database identifiers
- CAS
97831-31-7- PubChem CID
- 57322
- DTXSID
DTXSID70913633
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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