Description
IUPAC Name: (3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
InChI: InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
InChIKey: RBRPTFMVULVGIC-ZTIIIDENSA-N
Canonical SMILES: CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2
Isomeric SMILES: C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2
Synonyms: Xanthatin; 26791-73-1; (-)-Xanthatin; (3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; (3aR,7S,8aS)-7-Methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one; CHEBI:10058; 298X1N12LS; CHEMBL404466; …
Botanical Source: Siberian Cocklour Fruit