17-Acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,14,15,16-decahydrocyclopenta[a]phenanthrene-3,12-dione
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Basic information
- CAS
2484-48-2- Standard SMILES
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CC(=O)C21C- InChIKey
APJCTMMHYXDGLD-UHFFFAOYSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19875937
Names & identifiers
- Preferred name
- 17-Acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,14,15,16-decahydrocyclopenta[a]phenanthrene-3,12-dione
- IUPAC
- 17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,14,15,16-decahydrocyclopenta[a]phenanthrene-3,12-dione
Names & synonyms
2484-48-2NSC19273217-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,14,15,16-decahydrocyclopenta[a]phenanthrene-3,12-dioneDTXSID20307563NSC-19273217-hydroxypregn-4-ene-3,12,20-trione
Database identifiers
- CAS
2484-48-2- PubChem CID
- 303605
- DTXSID
DTXSID20307563
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 707
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Compound notes
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