Spektraris NMR
[(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-hydroxybenzoyl)-beta-D-glucopyranoside
![[(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-hydroxybenzoyl)-beta-D-glucopyranoside](/nmr/static/nmr/svg/5786.svg)
Common Name: [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-hydroxybenzoyl)-beta-D-glucopyranoside
Synonyms: [(2S,3R)-2-Methyl-2,3,4-trihydroxybutyl]6-O-(4-hydroxybenzoyl)-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C18H26O11/c1-18(26,12(21)6-19)8-28-17-15(24)14(23)13(22)11(29-17)7-27-16(25)9-2-4-10(20)5-3-9/h2-5,11-15,17,19-24,26H,6-8H2,1H3/t11-,12-,13-,14+,15-,17-,18+/m1/s1
InChIKey: InChIKey=WEDHAYWWGPSQDM-VTODNCJKSA-N
Formula: C18H26O11
Molecular Weight: 418.39316
Exact Mass: 418.147512
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) | 77.25 |
| 2 (C) | 74.42 |
| 3 (CH) | 75.24 |
| 4 (CH2) | 63.72 |
| 5 (CH3) | 20.02 |
| 1' (CH) | 105.99 |
| 2' (CH) | 75.15 |
| 3' (CH) | 78.33 |
| 4' (CH) | 71.44 |
| 5' (CH) | 75.56 |
| 6' (CH2) | 64.72 |
| 1'' (C) | 121.53 |
| 2'' (CH) | 132.49 |
| 3'' (CH) | 116.03 |
| 4'' (C) | 165.53 |
| 5'' (CH) | 116.03 |
| 6'' (CH) | 132.49 |
| 7'' (C) | 166.72 |
