Isochlorogenic acid C

Datasheet MSDS
Catalog Number
ANC04206
Product Name
Isochlorogenic acid C
CAS Number
32451-88-0
IUPAC Name
(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic聽acid
Synonyms
4,5-Dicaffeoylquinicacid; (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihydroxyphenyl)-2-oxobut-3-en-1-yl)-3-(((E)-3-(3,4-dihydroxyphenyl)
Molecular Formula
C25H24O12
Molecular Weight
516.4
Appearance
White powder
Purity
>98%
SMILES
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
InChI Key
UFCLZKMFXSILNL-RVXRWRFUSA-N
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