Basic information
- CAS
14155-65-8- Standard SMILES
C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C=O)[C@@]1(O)[C@H](O)C[C@@H]2C1=CC(=O)OC1- InChIKey
QJKATDKDXQSALV-UFJODQJQSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
- IUPAC
- (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
DTXSID109311193,14,15-Trihydroxy-19-oxocard-20(22)-enolide(8xi,9xi)-3beta,14,15beta-Trihydroxy-19-oxo-5alpha-card-20(22)-enolide
Database identifiers
- CAS
14155-65-8- PubChem CID
- 26488
- DTXSID
DTXSID10931119
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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