Spektraris NMR
[(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-acetyl-beta-D-glucopyranoside
![[(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-acetyl-beta-D-glucopyranoside](/nmr/static/nmr/svg/4017.svg)
Common Name: [(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-acetyl-beta-D-glucopyranoside
Synonyms: [(S)-1-Methyl-3-(4-hydroxyphenyl)propyl]6-O-acetyl-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C18H26O8/c1-10(3-4-12-5-7-13(20)8-6-12)25-18-17(23)16(22)15(21)14(26-18)9-24-11(2)19/h5-8,10,14-18,20-23H,3-4,9H2,1-2H3/t10-,14+,15+,16-,17+,18+/m0/s1
InChIKey: InChIKey=NMWVITCXHMJFOY-IUDADELYSA-N
Formula: C18H26O8
Molecular Weight: 370.394945
Exact Mass: 370.162768
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) | 22.1 |
| 2 (CH) | 77.5 |
| 3 (CH2) | 40.1 |
| 4 (CH2) | 31.6 |
| 5 (C) | 134.4 |
| 6 (CH) | 130.3 |
| 7 (CH) | 116 |
| 8 (C) | 156.2 |
| 9 (CH) | 116 |
| 10 (CH) | 130.3 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75.2 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.7 |
| 5' (CH) | 75.5 |
| 6' (CH2) | 64.8 |
| 6'a (C) | 172.8 |
| 6'b (CH3) | 20.7 |
