Basic information
- CAS
1247-04-7- Standard SMILES
C[C@]12CCC(=O)C=C1CCC1C2CC[C@]2(C)C(C3=CC(=O)OC3)CC[C@]12O- InChIKey
PDHLJIBDBNGBOL-HOCRBLMTSA-N- Molecular formula
- C23H30O4
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.21440943
Names & identifiers
- Preferred name
- 14-Hydroxy-3-oxocarda-4,20(22)-dienolide
- IUPAC
- 3-[(10R,13R,14S)-14-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
1247-04-7DTXSID9092490814-Hydroxy-3-oxocarda-4,20(22)-dienolideRefChem:1057510DTXCID301353740AnhydroperiplogenoneG89202(8xi,9xi)-14-Hydroxy-3-oxo-17xi-carda-4,20(22)-dienolide
Database identifiers
- CAS
1247-04-7- PubChem CID
- 14723
- DTXSID
DTXSID90924908- EC Number
- 214-994-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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