CAS Registry Number®
57378-72-0
CAS Name
4,5-Dicaffeoylquinic acid
Molecular Formula
C25H24O12
Molecular Mass
516.45
Other Names and Identifiers
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/t19-,20-,23+,25-/m1/s1
InChIKey
InChIKey=UFCLZKMFXSILNL-GCBRTHAASA-N
SMILES
O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@H]2[C@H](OC(C=CC3=CC(O)=C(O)C=C3)=O)C[C@](C(O)=O)(O)C[C@H]2O
Canonical SMILES
O=C(OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=CC2=CC=C(O)C(O)=C2)C=CC3=CC=C(O)C(O)=C3
Other Names for this Substance
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3R,4S,5R)-
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, [1R-(1α,3α,4α,5β)]-
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, (1R,3R,4S,5R)-
- (1R,3R,4S,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid
- 4,5-Dicaffeoylquinic acid
- Isochlorogenic acid c
Deleted or Replaced CAS Registry Numbers
32451-88-0
