Spektraris NMR
Cappariloside A
Common Name: Cappariloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2/t11-,13-,14+,15-,16-/m1/s1
InChIKey: InChIKey=ZVFUTZQNUQUJLW-YMILTQATSA-N
Formula: C16H17N2O6
Molecular Weight: 333.316683
Exact Mass: 333.108661
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) | 123.9 |
| 3 (C) | 104.8 |
| 4 (C) | 153.1 |
| 5 (CH) | 105.3 |
| 6 (CH) | 123.6 |
| 7 (CH) | 107.4 |
| 8 (C) | 140 |
| 9 (C) | 118.4 |
| 1' (CH) | 102.5 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.3 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.5 |
| 3a (CH2) | 16.2 |
| 3b (C) | 121.3 |
