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

CAS Registry Number®

86632-03-3

CAS Name

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

Molecular Formula

C34H30O15

Molecular Mass

678.59

Cite this Page

(1α,3R,4α,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86632-03-3 (retrieved 2024-11-22) (CAS RN: 86632-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1

InChIKey

InChIKey=OAFXTKGAKYAFSI-YOWOTECTSA-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@H](OC(/C=C/C4=CC(O)=C(O)C=C4)=O)C[C@@](C(O)=O)(O)C2

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3,4,5-tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxy-, (1α,3R,4α,5R)-
  • Cyclohexanecarboxylic acid, 3,4,5-tris[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-hydroxy-, [1R-[1α,3α(E),4α(E),5β(E)]]-
  • Cyclohexanecarboxylic acid, 3,4,5-tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-hydroxy-, (1α,3R,4α,5R)-
  • (1α,3R,4α,5R)-3,4,5-Tris[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxycyclohexanecarboxylic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration