Chlorogenic acid butyl ester

CAS Registry Number®

132741-56-1

CAS Name

Chlorogenic acid butyl ester

Molecular Formula

C20H26O9

Molecular Mass

410.42

Cite this Page

Chlorogenic acid butyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=132741-56-1 (retrieved 2024-11-22) (CAS RN: 132741-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m1/s1

InChIKey

InChIKey=VNLREARKISTOAD-SNQQTVKYSA-N

SMILES

C(OCCCC)(=O)[C@@]1(O)C[C@@H](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)[C@H](O)[C@H](O)C1

Canonical SMILES

O=C(OC1CC(O)(C(=O)OCCCC)CC(O)C1O)C=CC2=CC=C(O)C(O)=C2

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, butyl ester, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, butyl ester, [1S-[1α,3β(E),4α,5α]]-
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, butyl ester, (1S,3R,4R,5R)-
  • Chlorogenic acid butyl ester
  • 3-O-Caffeoyl quinic acid butyl ester

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration