Spektraris NMR
[(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside
![[(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside](/nmr/static/nmr/svg/5787.svg)
Common Name: [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside
Synonyms: [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C19H28O11/c1-19(26,13(21)7-20)9-29-18-16(24)15(23)14(22)12(30-18)8-28-17(25)10-3-5-11(27-2)6-4-10/h3-6,12-16,18,20-24,26H,7-9H2,1-2H3/t12-,13-,14-,15+,16-,18-,19+/m1/s1
InChIKey: InChIKey=CXRFMTJPRLMTOT-LHVZWHSTSA-N
Formula: C19H28O11
Molecular Weight: 432.419777
Exact Mass: 432.163162
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima J., Ishikawa T., Fujimatu E., Kondho K., Takayanagi T. Phytochemistry (2003) 62, 115-20
Species:
Notes: Family : Carbohydrates, Type : Monosaccharides, Group : Pyranoses; 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 (CH2) | 77.33 |
| 2 (C) | 74.47 |
| 3 (CH) | 75.36 |
| 4 (CH2) | 63.78 |
| 5 (CH3) | 20.13 |
| 1' (CH) | 106.03 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.39 |
| 4' (CH) | 71.57 |
| 5' (CH) | 75.56 |
| 6' (CH2) | 65 |
| 1'' (C) | 123.21 |
| 2'' (CH) | 132.14 |
| 3'' (CH) | 114.14 |
| 4'' (C) | 163.8 |
| 5'' (CH) | 114.14 |
| 6'' (CH) | 132.14 |
| 7'' (C) | 166.49 |
| 4''a (CH3) | 55.41 |
