17-Hydroxy-19-nor-17-alpha-pregn-4-en-3-one acetate
Basic information
- CAS
18063-30-4- Standard SMILES
CC[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
LPVYJWRIXJQYIY-REGVOWLASA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- 17-Hydroxy-19-nor-17-alpha-pregn-4-en-3-one acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-ethyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
17-Hydroxy-19-nor-17-alpha-pregn-4-en-3-one acetate17-alpha-Ethyl-19-nortestosterone-17-acetate18063-30-419-Nor-17-alpha-pregn-4-en-3-one, 17-hydroxy-, acetateDTXSID709393583-Oxo-19-norpregn-4-en-17-yl acetate
Database identifiers
- CAS
18063-30-4- PubChem CID
- 205462
- DTXSID
DTXSID70939358
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 621
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Related reactions
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Compound notes
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