Description
Chebulic acid is a phenol isolated from Terminalia chebula with potent anti-oxidant activity.
Synonyms
(2S)-2-[(3S)-3,4-Dihydro-3α-carboxy-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4β-yl]butanedioic acid;Butanedioic acid,[(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-;Chebulic acid;Split acid;CHEBULIC ACID(SH);(2S)-[(3S,4S)-3-Carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]butanedioic acid
IUPAC Name
(2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
Molecular Formula
C14H12O11
Canonical SMILES
C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m0/s1
InChIKey
COZMWVAACFYLBI-XJEVXTIOSA-N
Boiling Point
755.9±60.0 °C(Predicted)
Solubility
Methanol; Water