(-)-Gaillardin
Basic information
- CAS
14682-46-3- Standard SMILES
C=C1C(=O)O[C@H]2C=C(C)[C@H]3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3C[C@H]12- InChIKey
UTPGJEROJZHISI-DFGCRIRUSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Overview
Gaillardin is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- (-)-Gaillardin
- IUPAC
- [(3aS,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
- English name
- Gaillardin
- Molecular formula
- C17H22O5
- Molecular weight
- 306.35
Names & synonyms
GAILLARDIN14682-46-3DTXSID70295941[(3aS,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate(-)-Gaillardin((3aS,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno(6,5-b)furan-6-yl) acetateRefChem:905555DTXCID00247079((3aS,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno(6,5-b)furan-6-yl) acetateNSC 106394CHEMBL490386(3ar,4ar,5r,7s,7as,9as)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
Show more names
(3aR)-7α-Acetoxy-3aα,4,4aα,5,6,7,7aβ,9aβ-octahydro-5α-hydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-oneAzuleno[6,5-b]furan-2(3H)-one, 7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-, (3aR,4aR,5R,7S,7aS,9aS)-
CHEBI:5240SCHEMBL29627440NSC106394NSC-106394C09455Q27106695
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 578
Chemistry & industry
Additional notes
DefinitionChEBI: Gaillardin is a sesquiterpene lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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