Eremofrullanolide
Basic information
- CAS
62870-69-3- Standard SMILES
C=C1C(=O)O[C@H]2C=C3CCC[C@H](C)[C@@]3(C)C[C@@H]12- InChIKey
OAPAQBTVYKCGMG-SUDQYYNISA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
Eremofrullanolide is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- Eremofrullanolide
- IUPAC
- (3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
- English name
- (3aS)-3aβ,4,4a,5,6,7,8,9aβ-Octahydro-4aβ,5β-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
Eremofrullanolide62870-69-3(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-oneC09408AC1L9CFWCHEBI:4817DTXSID10331771Q27106492(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f]benzofuran-2-one(3aS,4aR,5S,9aS)-4a,5-Dimethyl-3-methylidene-3a,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2(3H)-one(3aS)-3aβ,4,4a,5,6,7,8,9aβ-Octahydro-4aβ,5β-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-oneNaphtho[2,3-b]furan-2(3H)-one, 3a,4,4a,5,6,7,8,9a-octahydro-4a,5-dimethyl-3-methylene-, (3aS,4aR,5S,9aS)-
Database identifiers
- CAS
62870-69-3- PubChem CID
- 442209
- DTXSID
DTXSID10331771- ChEBI
CHEBI:4817- Nikkaji
- J18.158G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 421
Chemistry & industry
Additional notes
DefinitionChEBI: Eremofrullanolide is a sesquiterpene lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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