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中国新化学物质查询

3,4,5-三咖啡酰奎宁酸(3,4,5-Tricaffeoylquinic acid)

Cyclohexanecarboxylic acid, 3,4,5-tris(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-hydroxy-, (1α,3R,4α,5R)-, (3R,5R)-3,4,5-Tris{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1-hydroxycyclohexanecarboxylic acid, 3,4,5-tricaffeoylquinic acid, 3,4,5-tri-CQA, Cyclohexanecarboxylic acid, 3,4,5-tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxy-, (3R,5R)-, Caffeoylquinic acid der.

CAS号: 86632-03-3

IUPAC名称: trans-(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

分子式: C34H30O15

分子量: 678.59

InChI: InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32?,34?/m1/s1

InChIKey: OAFXTKGAKYAFSI-JFPZSYFPSA-N

SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)(O)C(=O)O

EINECS: -

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