1,5-Dicaffeoylquinic acid

Datasheet MSDS
Catalog Number
ANC04231
Product Name
1,5-Dicaffeoylquinic acid
CAS Number
19870-46-3
IUPAC Name
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
Synonyms
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylicacid; 1,3-dicaffeoylquinicacid
Molecular Formula
C25H24O12
Molecular Weight
516.45
Appearance
Powder
Purity
>98%
Solubility
DMSO: ≥ 23 mg/mL
Boiling Point
819.9±65.0°C@760 Torr
Storage
Store in a cool and dry place (or refer to the Certificate of Analysis).
SMILES
C1[C@H]([C@H]([C@@H](C[C@@]1(C(=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)O
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
InChI Key
YDDUMTOHNYZQPO-PSEXTPKNSA-N
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