1-(1-β-D-Glucopyranosyl-1H-indol-3-yl)-3-hydroxy-3-methyl-2-butanone

CAS Registry Number®

1346764-92-8

CAS Name

1-(1-β-D-Glucopyranosyl-1H-indol-3-yl)-3-hydroxy-3-methyl-2-butanone

Molecular Formula

C19H25NO7

Molecular Mass

379.40

Cite this Page

1-(1-β-D-Glucopyranosyl-1H-indol-3-yl)-3-hydroxy-3-methyl-2-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1346764-92-8 (retrieved 2025-01-30) (CAS RN: 1346764-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H25NO7/c1-19(2,26)14(22)7-10-8-20(12-6-4-3-5-11(10)12)18-17(25)16(24)15(23)13(9-21)27-18/h3-6,8,13,15-18,21,23-26H,7,9H2,1-2H3/t13-,15-,16+,17-,18-/m1/s1

InChIKey

InChIKey=GYKOURUXQLVTDZ-SOVHRIKKSA-N

SMILES

O[C@H]1[C@H](N2C=3C(C(CC(C(C)(C)O)=O)=C2)=CC=CC3)O[C@H](CO)[C@@H](O)[C@@H]1O

Canonical SMILES

O=C(CC1=CN(C=2C=CC=CC21)C3OC(CO)C(O)C(O)C3O)C(O)(C)C

Other Names for this Substance

  • 2-Butanone, 1-(1-β-D-glucopyranosyl-1H-indol-3-yl)-3-hydroxy-3-methyl-
  • 1-(1-β-D-Glucopyranosyl-1H-indol-3-yl)-3-hydroxy-3-methyl-2-butanone
  • Bruceolline M