Description
IUPAC Name: 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone
InChI: InChI=1S/C20H28O12/c1-9(22)11-4-3-10(28-2)5-12(11)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3
InChIKey: IRLNKOAURQPXIQ-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O
Isomeric SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O
Synonyms: Apiopaeonoside; 100291-86-9; Apiopeonoside; Ethanone, 1-[2-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl]-; 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone; Ethanone, 1-(2-((6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-4-methoxyphenyl)-; DTXSID40905328; BCP10893; …
Botanical Source: Paeonia suffruticosa Andr.