rel-(-)-Methyl (1S,3R,4R,5R)-3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylate

CAS Registry Number®

345642-66-2

CAS Name

rel-(-)-Methyl (1S,3R,4R,5R)-3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylate

Molecular Formula

C27H28O12

Molecular Mass

544.50

Cite this Page

rel-(-)-Methyl (1S,3R,4R,5R)-3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=345642-66-2 (retrieved 2024-11-22) (CAS RN: 345642-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5+,10-6+/t20-,22-,25-,27+/m1/s1

InChIKey

InChIKey=RTLCSWCXZWROFK-YODDMHFOSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, methyl ester, (1S,3R,4R,5R)-rel-(-)-
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, (1R,3S,4S,5S)-rel-(-)-
  • rel-(-)-Methyl (1S,3R,4R,5R)-3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylate
  • Methyl 4-O-feruloyl-5-O-caffeoylquinate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration