Spektraris NMR
5-[2-Hydroxy-3-methyl-3-(beta-D-glucopyranosyloxy)butyl]-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
![5-[2-Hydroxy-3-methyl-3-(beta-D-glucopyranosyloxy)butyl]-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one](/nmr/static/nmr/svg/4076.svg)
Common Name: 5-[2-Hydroxy-3-methyl-3-(beta-D-glucopyranosyloxy)butyl]-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
Synonyms: 5-[2-Hydroxy-3-methyl-3-(beta-D-glucopyranosyloxy)butyl]-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C23H28O11/c1-23(2,34-22-18(29)17(28)16(27)13(9-24)32-22)14(25)8-12-10-4-5-15(26)33-19(10)11-6-7-31-21(11)20(12)30-3/h4-7,13-14,16-18,22,24-25,27-29H,8-9H2,1-3H3/t13-,14?,16-,17+,18-,22+/m1/s1
InChIKey: InChIKey=KAGDTEFAQXXXMS-LSYPXDBQSA-N
Formula: C23H28O11
Molecular Weight: 480.462721
Exact Mass: 480.163162
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 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 |
|---|---|
| 2 (C) | 163 |
| 3 (CH) | 113.8 |
| 4 (CH) | 145.6 |
| 5 (C) | 126.4 |
| 6 (C) | 142 |
| 7 (C) | 150.3 |
| 8 (C) | 118.3 |
| 2' (CH) | 147.1 |
| 3' (CH) | 104.9 |
| 1'' (CH) | 98.4 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.8 |
| 4a (C) | 115.4 |
| 5a (CH2) | 28.4 |
| 5b (CH) | 79.3 |
| 5c (C) | 81.5 |
| 5d (CH3) | 23.5 |
| 5ac (CH3) | 22.6 |
| 6a (CH3) | 61.3 |
| 8a (C) | 145.4 |
