Atemoyacin A
Basic information
- CAS
152378-19-3- Standard SMILES
CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1- InChIKey
YVZIPERWMPDEIZ-UHFFFAOYSA-N- Molecular formula
- C35H62O7
- Average molar mass
- 594.9 g/mol
- Monoisotopic mass
- 594.44955431
Overview
Atemoyacin A has been reported in Annona cherimola and Annona glabra with data available.
Names & identifiers
- Preferred name
- Atemoyacin A
- IUPAC
- 4-[2,11-dihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
Names & synonyms
Atemoyacin ASquamocin E22-EpimolvizarinYVZIPERWMPDEIZ-UHFFFAOYSA-N4-[2,11-Dihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one3-{2,11-dihydroxy-11-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]undecyl }-5-methyl-2(5H)-furanone3-{2,11-dihydroxy-11-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]undecyl}-5-methyl-2(5H)-furanone
Database identifiers
- CAS
152378-19-3- PubChem CID
- 10326164
- Nikkaji
- J589.835H
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 23
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 770
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
2 records
Compound notes
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