CAS Registry Number®
67879-58-7
CAS Name
Caftaric acid
Molecular Formula
C13H12O9
Molecular Mass
312.23
Compound Properties
-
Melting Point (1)
123-125 °C
Source(s)
- (1) Anastasiadi, Maria; Journal of Agricultural and Food Chemistry, (2009), 57(2), 457-463, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=SWGKAHCIOQPKFW-JTNORFRNSA-N
SMILES
[C@@H](OC(/C=C/C1=CC(O)=C(O)C=C1)=O)([C@H](C(O)=O)O)C(O)=O
Canonical SMILES
O=C(O)C(O)C(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)O
Other Names for this Substance
- Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxy-, (2R,3R)-
- Butanedioic acid, 2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, [R-[R*,R*-(E)]]-
- Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, (2R,3R)-
- (2R,3R)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxybutanedioic acid
- Caftaric acid
- trans-Caftaric acid
Deleted or Replaced CAS Registry Numbers
72880-50-3
