67879-58-7, Caftaric acid, 单咖啡酰酒石酸, Cas:67879-58-7

67879-58-7 , Caftaric acid,
单咖啡酰酒石酸,
Cas:67879-58-7
MFCD02094177
C13H12O9 / 312.23

Caftaric acid, 单咖啡酰酒石酸

Caftaric acid is a tartaric ester of hydroxycinnamic acid. Caftaric acid is a natural phenolic compound present in grapes and wine, in chicory, and in Echinacea plants. In rats, it is quickly absorbed in the stomach, and detected in blood and in kidneys, whereas only its conversion product trans-fertaric acid is found in urine. In humans, caftaric acid has been suggested as an inhibitor of protein phospholipase A2-like (PLA2-like) toxins that are present in snake venom.

CAS Number	67879-58-7
Product Name	Caftaric acid
IUPAC Name	(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Molecular Formula	C13H12O9
Molecular Weight	312.23 g/mol
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
Synonyms	Mono-(3,4-dihydroxycinnamoyl)-tartaric acid; Caffeoyltartaric acid
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O