Basic information
- CAS
546-04-3- Standard SMILES
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CCC2C1=CC(=O)OC1- InChIKey
FDFUXGSOHNJEAN-KQYWMCCWSA-N- Molecular formula
- C23H30O5
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.20932405
Names & identifiers
- Preferred name
- 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide
- IUPAC
- (3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
DTXSID309698533,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide(8xi,9xi)-3beta,14-Dihydroxy-19-oxo-17xi-carda-5,20(22)-dienolide
Database identifiers
- CAS
546-04-3- PubChem CID
- 11022
- DTXSID
DTXSID30969853
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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