Spektraris NMR
methyl 4,5-O-dimethyl-gallate 3-O-α-D-glucopyranoside
Common Name: methyl 4,5-O-dimethyl-gallate 3-O-α-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O10/c1-22-8-4-7(15(21)24-3)5-9(14(8)23-2)25-16-13(20)12(19)11(18)10(6-17)26-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1
InChIKey: InChIKey=VPLILMJBYKIMET-VBTGVMJWSA-N
Formula: C16H22O10
Molecular Weight: 374.34052
Exact Mass: 374.121297
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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) | 125.9 |
| 2 (CH) | 112 |
| 3 (C) | 152.1 |
| 4 (C) | 143.9 |
| 5 (C) | 153.9 |
| 6 (CH) | 108.2 |
| 7 (C) | 166.6 |
| 1' (CH) | 102.9 |
| 2' (CH) | 75 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.3 |
| 4a (CH3) | 61 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 52.1 |
