Spektraris NMR
Benzyl 6'-O-galloyl-b-D-glucopyranoside
Common Name: Benzyl 6'-O-galloyl-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O10/c21-12-6-11(7-13(22)15(12)23)19(27)28-9-14-16(24)17(25)18(26)20(30-14)29-8-10-4-2-1-3-5-10/h1-7,14,16-18,20-26H,8-9H2/t14-,16-,17+,18-,20-/m1/s1
InChIKey: InChIKey=CJVSZACCCLUFJN-UVNCQSPWSA-N
Formula: C20H22O10
Molecular Weight: 422.383464
Exact Mass: 422.121297
NMR Solvent: A+W
MHz:
Calibration:
NMR references: 13C - Isaza, J.H., Ito, H., Yoshida, T. Phytochemistry (2001) 58, 321-7
Species:
Notes: Family : Aromatics, Type : Benzenes; 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 (C) | 138.9 |
| 2 (CH) | 128.7 |
| 3 (CH) | 128.9 |
| 4 (CH) | 128.2 |
| 5 (CH) | 128.9 |
| 6 (CH) | 128.7 |
| 7 (CH2) | 70.9 |
| 1' (CH) | 102.9 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77 |
| 4' (CH) | 71.2 |
| 5' (CH) | 75 |
| 6' (CH2) | 64.5 |
| 1'' (C) | 121.6 |
| 2'' (CH) | 109.8 |
| 3'' (C) | 146 |
| 4'' (C) | 138.8 |
| 5'' (C) | 146 |
| 6'' (CH) | 109.8 |
| 7'' (C) | 167 |
