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Merck
CN

D8071

Sigma-Aldrich

1,5-Dicaffeoylquinic acid

≥98% (HPLC)

Synonym(s):

Cynarin, (1S,3R,4R,5R)-1,3-Bis[3-(3,4-dihydroxyphenyl)acryloyloxy]-4,5-dihydroxycyclohexanecarboxylic acid, 1,3-Dicaffeoylquinic acid

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About This Item

Empirical Formula (Hill Notation):
C25H24O12
CAS Number:
19870-46-3
Molecular Weight:
516.45
MDL number:
MFCD13196505
UNSPSC Code:
12352200
PubChem Substance ID:
329798856

Key Documents

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Assay

≥98% (HPLC)

form

powder

color

white to off-white

solubility

5 mg/mL, clear, colorless to light yellow

storage temp.

2-8°C

SMILES string

O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O

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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General description

In literature, CAS Numbers 19870-46-3 and 30964-13-7 are each described as 1,3-dicaffeoylquinic acid, 1,5-dicaffeoylquinic acid, and cynarin. The IUPAC synonym for this product is provided for clarification.

Biochem/physiol Actions

Phenolic compound found in artichoke. Antioxidant and choleretic properties. Potential immunosuppressive agent.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBX9376V
MKBW5011V
MKBV2611V
MKBR8693V
MKBR3514V

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