(3aR,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-8-methyl-3-methyleneazuleno(6,5-b)furan-2,5-dione
Basic information
- CAS
5945-40-4- Standard SMILES
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@H]3C[C@H]12- InChIKey
GQOWVFHMXITOCQ-QWRHMFJTSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Overview
Mexicanin E is a gamma-lactone.
Names & identifiers
- Preferred name
- (3aR,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-8-methyl-3-methyleneazuleno(6,5-b)furan-2,5-dione
- IUPAC
- (3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione
Names & synonyms
Mexicanin E5945-40-4(3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione(3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno(6,7-b)furan-2,8-dioneRefChem:1050142(3aR,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-8-methyl-3-methyleneazuleno(6,5-b)furan-2,5-dioneNSC 264054CHEBI:6914SCHEMBL31238361Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, (3aR-(3a-alpha,4a-alpha,7a-alpha,8-alpha,9a-alpha))C09503Q27107355
Database identifiers
- CAS
5945-40-4- PubChem CID
- 22226
- ChEBI
CHEBI:6914- Nikkaji
- J15.718J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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