Basic information
- CAS
26543-54-4- Standard SMILES
C[C@]12CCC3C4(CC[C@]5(O)C[C@@H](O)CC[C@]35C(O)O4)C1CC[C@@H]2C1=CC(=O)OC1- InChIKey
LEXZZTKQKOEXQZ-OPKVYHOPSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- 3,5,19-Trihydroxy-8,19-epoxycard-20(22)-enolide
- IUPAC
- 3-[(1S,5R,6S,13S,15S)-13,15,18-trihydroxy-5-methyl-19-oxapentacyclo[8.7.2.01,13.02,10.05,9]nonadecan-6-yl]-2H-furan-5-one
Names & synonyms
DTXSID109493903,5,19-Trihydroxy-8,19-epoxycard-20(22)-enolide(8xi,9xi,14xi)-3beta,5,19-Trihydroxy-5beta-8,19-epoxycard-20(22)-enolide
Database identifiers
- CAS
26543-54-4- PubChem CID
- 33539
- DTXSID
DTXSID10949390
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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