CAS Registry Number®
70831-56-0
CAS Name
(-)-Chicoric acid
Molecular Formula
C22H18O12
Molecular Mass
474.37
Compound Properties
-
Melting Point (1)
206 °C
Source(s)
- (1) Scarpati, M. L.; Tetrahedron, (1958), 4, 43-8, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChIKey
InChIKey=YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES
[C@H]([C@@H](OC(/C=C/C1=CC(O)=C(O)C=C1)=O)C(O)=O)(OC(/C=C/C2=CC(O)=C(O)C=C2)=O)C(O)=O
Canonical SMILES
O=C(OC(C(=O)O)C(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)O)C=CC2=CC=C(O)C(O)=C2
Other Names for this Substance
- Butanedioic acid, 2,3-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2R,3R)-
- Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [R-[R*,R*-(E,E)]]-
- Butanedioic acid, 2,3-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2R,3R)-
- (2R,3R)-2,3-Bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid
- Chicoric acid, (-)-
- (-)-Chicoric acid
- l-Chicoric acid
- (-)-L-Chicoric acid
- NSC 99173
- L-Chicoric acid
- trans-Caffeoyltartaric acid
