Description
IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N
Canonical SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC
Isomeric SMILES: COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)OC
Synonyms: Arctigenin; (-)-Arctigenin; 7770-78-7; (+/-)-Arctigenin; Arctigenin, (+/-)-; UNII-U76MR9VS6M; U76MR9VS6M; Arctigenin, trans-((+/-)-; …
Botanical Source: Arctium lappa L.