Spektraris NMR
[(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-galloyl-beta-D-glucopyranoside
![[(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-galloyl-beta-D-glucopyranoside](/nmr/static/nmr/svg/4016.svg)
Common Name: [(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-galloyl-beta-D-glucopyranoside
Synonyms: [(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-galloyl-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C23H28O11/c1-11(2-3-12-4-6-14(24)7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,11,17,19-21,23-30H,2-3,10H2,1H3/t11-,17+,19+,20-,21+,23+/m0/s1
InChIKey: InChIKey=DOLLUUJWXHAFRJ-YCVSVHTKSA-N
Formula: C23H28O11
Molecular Weight: 480.462721
Exact Mass: 480.163162
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shikishima Y., Takaishi Y., Honda G., Ito M., Takeda Y., Kodzhimatov O.K., Ashurmetov O. Phytochemistry (2001) 56, 377-81
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylbutanoids; 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 (CH3) | 22 |
| 2 (CH) | 78.8 |
| 3 (CH2) | 40 |
| 4 (CH2) | 31.5 |
| 5 (C) | 134.5 |
| 6 (CH) | 130 |
| 7 (CH) | 116 |
| 8 (C) | 155.9 |
| 9 (CH) | 116 |
| 10 (CH) | 130 |
| 1' (CH) | 104.1 |
| 2' (CH) | 75 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.7 |
| 5' (CH) | 75.3 |
| 6' (CH2) | 64.9 |
| 6'a (C) | 168.4 |
| 6'b (C) | 121.4 |
| 6'c (CH) | 110.2 |
| 6'd (C) | 146.3 |
| 6'e (C) | 139.7 |
| 6'f (C) | 146.3 |
| 6'g (CH) | 110.2 |
