(3R)-5-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid

CAS Registry Number®

218604-48-9
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CAS Name

(3R)-5-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid

Molecular Formula

C22H29NO15

Molecular Mass

547.46

Cite this Page

(3R)-5-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218604-48-9 (retrieved 2024-09-20) (CAS RN: 218604-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H29NO15/c24-5-10-13(28)14(29)16(31)20(36-10)38-18-11(6-25)37-19(17(32)15(18)30)35-7-1-2-9-8(3-7)22(34,4-12(26)27)21(33)23-9/h1-3,10-11,13-20,24-25,28-32,34H,4-6H2,(H,23,33)(H,26,27)/t10-,11-,13-,14+,15-,16-,17-,18-,19-,20+,22-/m1/s1

InChIKey

InChIKey=ADONHDUDLSXBIZ-ALRBAEMTSA-N

SMILES

C(C(O)=O)[C@@]1(O)C=2C(NC1=O)=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C2

Canonical SMILES

O=C(O)CC1(O)C(=O)NC2=CC=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C21

Other Names for this Substance

  • 1H-Indole-3-acetic acid, 5-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-3-hydroxy-2-oxo-, (3R)-
  • (3R)-5-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid