Caftaric acid

Datasheet MSDS
Catalog Number
ANC04161
Product Name
Caftaric acid
CAS Number
67879-58-7
IUPAC Name
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Synonyms
2-Caffeoyl-L-tartaricacid; (2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioicacid
Molecular Formula
C13H12O9
Molecular Weight
312.23
Appearance
Powder
Purity
>98%
Solubility
Soluble in DMSO
Storage
Store at -20°C
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
InChI
InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
InChI Key
SWGKAHCIOQPKFW-JTNORFRNSA-N
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