(3R,4S,5R)-4-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-1-cyclohexene-1-carboxylic Acid
Product Code
TRC-D380150
CAS Number
Product Format
Neat
Molecular Formula
C16 H16 O8
Molecular Weight
336.293
Product Categories
Product Type
Bioactive Small MoleculeShare product
![(3R,4S,5R)-4-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-1-cyclohexene-1-carboxylic Acid](https://assets.lgcstandards.com/sys-master%2Fimages%2Fhfc%2Fhb8%2F10622774378526%2FD380150.png)
- Product Name: (3R,4S,5R)-4-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-1-cyclohexene-1-carboxylic Acid
- Product Code: TRC-D380150
- CAS Number: 180842-65-3
- Brand: TRC
Product Information
Chemical Data
Analyte Name
4-O-Caffeoylshikimic Acid
CAS Number
180842-65-3
Molecular Formula
C16 H16 O8
Molecular Weight
336.293
Accurate Mass
336.085
SMILES
O[C@@H]1CC(=C[C@@H](O)[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O
InChI
InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
IUPAC
(3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,5-dihydroxycyclohexene-1-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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