(1α,3R,4α,5R)-1,3,4,5-Tetrakis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid

CAS Registry Number®

158364-86-4
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CAS Name

(1α,3R,4α,5R)-1,3,4,5-Tetrakis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid

Molecular Formula

C43H36O18

Molecular Mass

840.74

Cite this Page

(1α,3R,4α,5R)-1,3,4,5-Tetrakis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158364-86-4 (retrieved 2024-09-21) (CAS RN: 158364-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H36O18/c44-27-9-1-23(17-31(27)48)5-13-37(52)58-35-21-43(42(56)57,61-40(55)16-8-26-4-12-30(47)34(51)20-26)22-36(59-38(53)14-6-24-2-10-28(45)32(49)18-24)41(35)60-39(54)15-7-25-3-11-29(46)33(50)19-25/h1-20,35-36,41,44-51H,21-22H2,(H,56,57)/b13-5+,14-6+,15-7+,16-8+/t35-,36-,41-,43+/m1/s1

InChIKey

InChIKey=VTHDRBWIVRFQKI-ATQMDXCCSA-N

SMILES

O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@@H]2[C@H](OC(/C=C/C3=CC(O)=C(O)C=C3)=O)C[C@@](OC(/C=C/C4=CC(O)=C(O)C=C4)=O)(C(O)=O)C[C@H]2OC(/C=C/C5=CC(O)=C(O)C=C5)=O

Canonical SMILES

O=C(OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C1OC(=O)C=CC4=CC=C(O)C(O)=C4)C=CC5=CC=C(O)C(O)=C5

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrakis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1α,3R,4α,5R)-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrakis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [1R-[1α(E),3α(E),4α(E),5β(E)]]-
  • (1α,3R,4α,5R)-1,3,4,5-Tetrakis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
  • (all-E)-(-)-1,3,4,5-Tetra-O-caffeoylquinic acid
  • Tetracaffeoylquinic acid

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