5-Methoxy-1H-indol-6-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

77463-72-0
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CAS Name

5-Methoxy-1H-indol-6-yl β-D-glucopyranosiduronic acid

Molecular Formula

C15H17NO8

Molecular Mass

339.30

Cite this Page

5-Methoxy-1H-indol-6-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77463-72-0 (retrieved 2024-07-06) (CAS RN: 77463-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1

InChIKey

InChIKey=NECCHCPFFUXUOB-DKBOKBLXSA-N

SMILES

O(C1=C(OC)C=C2C(=C1)NC=C2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1OC(OC2=CC=3NC=CC3C=C2OC)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-methoxy-1H-indol-6-yl
  • 5-Methoxy-1H-indol-6-yl β-D-glucopyranosiduronic acid
  • 5-Methoxyindol-6-yl D-glucosiduronic acid
  • 6-Hydroxy-5-methoxyindole glucuronide

Deleted or Replaced CAS Registry Numbers

96933-48-1