Description
IUPAC Name: [(3S,4R,8R,9E,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
InChI: InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14+,15-,16-/m0/s1
InChIKey: JMUOPRSXUVOHFE-MCYOVBASSA-N
Canonical SMILES: CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
Isomeric SMILES: C/C/1=C[C@@H]2[C@@H]([C@H](CC3=C[C@H](C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
Synonyms: Isodeoxyelephantopin; 38927-54-7; Deoxyelephantopin; 29307-03-7; HY-N2491; AKOS037515407; AC-34617; CS-0022762; …
Botanical Source: Elephantopus scaber Linn.