Basic information
- CAS
13328-63-7- Standard SMILES
C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(C3=CC(=O)OC3)CC[C@]12O- InChIKey
ICDZNUWPLDJOTP-HOCRBLMTSA-N- Molecular formula
- C23H28O4
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.19875937
Names & identifiers
- Preferred name
- 14-Hydroxy-3-oxocarda-1,4,20(22)-trienolide
- IUPAC
- 3-[(10R,13R,14S)-14-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
14-Hydroxy-3-oxocarda-1,4,20(22)-trienolideDTXSID60928034(8xi,9xi)-14-Hydroxy-3-oxo-17xi-carda-1,4,20(22)-trienolide
Database identifiers
- CAS
13328-63-7- PubChem CID
- 25880
- DTXSID
DTXSID60928034
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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