Description
IUPAC Name: [(3S,4R,8R,9E,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
InChI: InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14-,15-,16+,17+/m1/s1
InChIKey: FTPHYXGWMIZVMP-GAFRNKKQSA-N
Canonical SMILES: CC=C(C)C(=O)OC1CC2=CC(CC(=CC3C1C(=C)C(=O)O3)C)OC2=O
Isomeric SMILES: C/C=C(/C)C(=O)O[C@H]1CC2=C[C@@H](C/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC2=O
Synonyms: Isoscabertopin; Scabertopin; 439923-16-7; [(3S,4R,8R,9E,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate; 185213-52-9; HY-N1247; AC-34170; PD166720; …
Botanical Source: Elephantopus scaber Linn.