3,4,5-Tricaffeoylquinic Acid

CAS
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CAS
86632-03-3
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Purity
98%
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Catalog Number

ACM86632033

Product Name

3,4,5-Tricaffeoylquinic Acid

CAS

86632-03-3

Category

Heterocyclic Organic Compound

Synonyms

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

IUPAC Name

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

Molecular Weight

678.59

Molecular Formula

C34H30O15

Canonical 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

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

InChI Key

OAFXTKGAKYAFSI-JFPZSYFPSA-N

Boiling Point

916.0±65.0 °C

Flash Point

290.9ºC

Density

1.64 g/ml

Appearance

Solid

Exact Mass

678.15800