Spektraris NMR
Canthin-6-one 9-O-B-glucopyranoside
Common Name: Canthin-6-one 9-O-B-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/m1/s1
InChIKey: InChIKey=MWPUPIWCFYQPEG-LWUBGYQZSA-N
Formula: C20H18N2O7
Molecular Weight: 398.366972
Exact Mass: 398.111401
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kanchanapoom T., Kasai R., Chumsri P., Hiraga Y., Yamasaki K. Phytochemistry (2001) 56, 383-6
Species:
Notes: Family : Alkaloids, Type : b-Carbolines, Group : Canthinones; 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 |
|---|---|
| 1 (CH) | 114.3 |
| 2 (CH) | 145.9 |
| 4 (CH) | 139.9 |
| 5 (CH) | 128.2 |
| 6 (C) | 158.9 |
| 8 (CH) | 104.5 |
| 9 (C) | 159.7 |
| 10 (CH) | 116.5 |
| 11 (CH) | 124.4 |
| 12 (C) | 118.2 |
| 13 (C) | 139.9 |
| 14 (C) | 129.3 |
| 15 (C) | 131.8 |
| 16 (C) | 135.3 |
| 1' (CH) | 101 |
| 2' (CH) | 73.2 |
| 3' (CH) | 77.2 |
| 4' (CH) | 69.5 |
| 5' (CH) | 76.5 |
| 6' (CH2) | 60.5 |
