NCS
中国新化学物质查询
牡丹酚新甙(Apiopaeonoside)
Apiopaeonoside, Ethanone, 1-[4-methoxy-2-[[6-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl]oxy]phenyl]-, Apiopeonoside, 2-Acetyl-5-methoxyphenyl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside
CAS号: 100291-86-9
IUPAC名称: 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone
分子式: C20H28O12
分子量: 460.429
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
SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O
EINECS: -
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