20-Formylpregn-4-en-3-one
Basic information
- CAS
66289-21-2- Standard SMILES
CC(C=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
XVPJEGGIGJLDQK-UHFFFAOYSA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.24023026
Names & identifiers
- Preferred name
- 20-Formylpregn-4-en-3-one
- IUPAC
- 2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanal
- English name
- (20R)-3-oxopregn-4-ene-20-carbaldehyde
- Molecular formula
- C22H32O2
- Molecular weight
- 328.49
Names & synonyms
20-Formylpregn-4-en-3-one2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanal903-30-066289-21-22-(10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanalPROGESTERONE IMPURITY 57NSC9137XVPJEGGIGJLDQK-UHFFFAOYSA-NNSC-9137MFCD00178322DB-015775G87777
Show more names
Progesterone Impurity 20Phloretin Impurity 1 (Phlorizin)Progesterone/Progestin impurities4-PREGNEN-3-ONE-20β-CARBOXALDEHYDE3-Keto-4-Pregnene-20β-Carboxaldehyde(20R)-20-Methylpregna-4-ene-3,21-dione(20R)-3-Oxopregn-4-ene-20-carboxaldehydePregn-4-ene-20-carboxaldehyde, 3-oxo-, (20R)-
Database identifiers
- CAS
66289-21-2- PubChem CID
- 91156
- EC Number
- 266-300-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 591
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Related reactions
2 records
Compound notes
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