Technical Information

Formal Name

(1S,3R,4R,5R)-1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-cyclohexanecarboxylic acid

CAS Number

19870-46-3

Synonyms

• 1,5-DCQA

• 1,3-Dicaffeoylquinic Acid

Molecular Formula

C25H24O12

Formula Weight

516.5

Purity

≥98%

Formulation(Request formulation change)

A crystalline solid

Solubility(Learn about Variance in Solubility)

• DMF: 71 mg/ml

• DMSO: 50 mg/ml

• Ethanol: 50 mg/ml

• PBS (pH 7.2): 25 mg/ml

λmax

220, 330 nm

SMILES

OC1=CC=C(/C=C/C(O[C@H]2[C@H](O)[C@H](O)C[C@](C(O)=O)(OC(/C=C/C3=CC(O)=C(O)C=C3)=O)C2)=O)C=C1O

InChi Code

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

Origin

Plant/Inulae Flos

Shipping & Storage Information

Storage

-20°C

Shipping

Room Temperature in continental US; may vary elsewhere

Stability

≥ 4 years