rel-(2R,3R)-5-[(1E)-2-Carboxyethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid

CAS Registry Number®

160169-55-1
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CAS Name

rel-(2R,3R)-5-[(1E)-2-Carboxyethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid

Molecular Formula

C20H18O8

Molecular Mass

386.35

Cite this Page

rel-(2R,3R)-5-[(1E)-2-Carboxyethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=160169-55-1 (retrieved 2024-09-19) (CAS RN: 160169-55-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3+/t17-,18+/s2

InChIKey

InChIKey=JTHPLBUVRLOJBB-RHGWPTHINA-N

SMILES

O(C)C1=C2C([C@H](C(O)=O)[C@H](O2)C3=CC(OC)=C(O)C=C3)=CC(/C=C/C(O)=O)=C1

Canonical SMILES

O=C(O)C=CC=1C=C(OC)C=2OC(C3=CC=C(O)C(OC)=C3)C(C(=O)O)C2C1

Other Names for this Substance

  • 3-Benzofurancarboxylic acid, 5-[(1E)-2-carboxyethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (2R,3R)-rel-
  • 3-Benzofurancarboxylic acid, 5-(2-carboxyethenyl)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, [2α,3β,5(E)]-
  • rel-(2R,3R)-5-[(1E)-2-Carboxyethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid
  • Benfur