4-Succinyl-3,5-dicaffeoylquinic acid

CAS Registry Number®

179761-31-0

CAS Name

4-Succinyl-3,5-dicaffeoylquinic acid

Molecular Formula

C29H28O15

Molecular Mass

616.52

Cite this Page

4-Succinyl-3,5-dicaffeoylquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=179761-31-0 (retrieved 2024-11-22) (CAS RN: 179761-31-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+/t21-,22-,27-,29+/m1/s1

InChIKey

InChIKey=DNZQDZDGNZZGCU-WDDIIZOCSA-N

SMILES

O(C(CCC(O)=O)=O)[C@@H]1[C@H](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)C[C@](C(O)=O)(O)C[C@H]1OC(/C=C/C3=CC(O)=C(O)C=C3)=O

Canonical SMILES

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

Other Names for this Substance

  • Butanedioic acid, 1-[(1α,2α,4α,6β)-4-carboxy-2,6-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4-hydroxycyclohexyl] ester
  • Butanedioic acid, mono[(1α,2α,4α,6β)-4-carboxy-2,6-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4-hydroxycyclohexyl] ester
  • 4-Succinyl-3,5-dicaffeoylquinic acid
  • 3,5-Dicaffeoyl-4-succinylquinic acid

Deleted or Replaced CAS Registry Numbers

330596-04-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration