Kaimonolide A
Basic information
- CAS
126456-03-9- Standard SMILES
CCC(O)CC1OC2(CCC1C)CC1OC(=O)/C=C/C(C)(O)C(O)C(C)C(O)CC(O)C(C)(O)CCC/C=C\C3CC(C)COC3(O)CC(O2)C1C- InChIKey
BNVZCZJOQPRHLO-OMGSKEOWSA-N- Molecular formula
- C40H68O12
- Average molar mass
- 741 g/mol
- Monoisotopic mass
- 740.4710776
Overview
Kaimonolide A has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Kaimonolide A
- IUPAC
- (9Z,21E)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Names & synonyms
Kaimonolide ANK 154168126456-03-9
Database identifiers
- CAS
126456-03-9- PubChem CID
- 6440824
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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