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Isochlorogenic Acid A

CAT: 0572-TRC-I789710-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I789710-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2450-53-5
Synonyms
Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)-; Cinnamic acid, 3,4-dihydroxy-, 5-carboxy-2,5-dihydroxy-1,3-cyclohexylene ester (8CI); Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)- (9CI); Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, [1R-(1α,3α,4α,5β)]-; Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, 3,5-bis(3,4-dihydroxycinnamate) (8CI); (1α,3R,4α,5R)-3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid; 3,5-Dicaffeoylquinic acid; 3,5-Dicaffeylquinic acid; CJ 4-16-4; Isochlorogenic acid a; Quinic acid 3,5-di-O-caffeate
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3
Molecular Formula
C25 H24 O12
Molecular Weight
516.45
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
Additionnal Information
IUPAC name: (1R,3R,4S,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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