Description
IUPAC Name: (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKey: FBMORZZOJSDNRQ-GLQYFDAESA-N
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
Isomeric SMILES: CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
Synonyms: Atractylenolide III; 73030-71-4; Codonolactone; AtractylenolideIII; 8beta-Hydroxyasterolide; 8-Hydroxyasterolide; CHEMBL486961; CHEBI:69958; …
Botanical Source: Atractylodes macrocephala