Description
IUPAC Name: (4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
InChI: InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
InChIKey: OQYBLUDOOFOBPO-KCQAQPDRSA-N
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C
Isomeric SMILES: CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@H]2OC1=O)C
Synonyms: Atractylenolide II; 73069-14-4; 2-Atractylenolide; Asterolide; CHEMBL485805; (4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one; SCHEMBL19082785; CHEBI:182501; …
Botanical Source: Atractylodes macrocephala