Basic information
- CAS
14614-17-6- Standard SMILES
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CCC2C1=CC(=O)OC1- InChIKey
QHVJKHHDNXCKKX-KQYWMCCWSA-N- Molecular formula
- C23H32O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.22497412
Names & identifiers
- Preferred name
- 3,14,19-Trihydroxycarda-4,20(22)-dienolide
- IUPAC
- 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
3,14,19-Trihydroxycarda-4,20(22)-dienolideDTXSID60932772(8xi,9xi)-3beta,14,19-Trihydroxy-17xi-carda-4,20(22)-dienolide
Database identifiers
- CAS
14614-17-6- PubChem CID
- 26765
- DTXSID
DTXSID60932772
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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