Spektraris NMR
4-(β-Glucopyranosyloxy)-1H-indole-3-carbaldehyde
Common Name: 4-(β-Glucopyranosyloxy)-1H-indole-3-carbaldehyde
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H17NO7/c17-5-7-4-16-8-2-1-3-9(11(7)8)22-15-14(21)13(20)12(19)10(6-18)23-15/h1-5,10,12-16,18-21H,6H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=WXJYXPJWQANQQQ-TVKJYDDYSA-N
Formula: C15H16N1O7
Molecular Weight: 322.290668
Exact Mass: 322.092677
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Su, D.M., Wang, Y.H., Yu, S.S., Yu, D.Q., Hu, Y.C., Tang, W.Z., Liu, G.T., Wang, W.J. Chem Biodivers (2007) 4, 2852-62
Species:
Notes: Family : Alkaloids, Type : Indols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 135.4 |
| 3 (C) | 119.8 |
| 4 (C) | 153.6 |
| 5 (CH) | 108.2 |
| 6 (CH) | 125.5 |
| 7 (CH) | 140.5 |
| 8 (C) | 108.8 |
| 9 (C) | 117.4 |
| 1' (CH) | 103.3 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.6 |
| 3a (CH) | 189.1 |
