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Basic information
- CAS
1424-06-2- Standard SMILES
CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
QIEPWCSVQYUPIY-HXIANDDZSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- A)-pregna-1,4-diene-3,20-dione
- IUPAC
- (8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
1424-06-2SCHEMBL11076539DTXSID30290235NSC67579A)-pregna-1,4-diene-3,20-dioneNSC-6757917alpha-Pregna-1,4-diene-3,20-dione
Database identifiers
- CAS
1424-06-2- PubChem CID
- 249336
- DTXSID
DTXSID30290235
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
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Compound notes
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