Spektraris NMR
4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-methoxycoumarin
Common Name: 4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-methoxycoumarin
Synonyms: 4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-methoxycoumarin
CAS Registry Number:
InChI: InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=JZBHUVGJBWDUSA-RECXWPGBSA-N
Formula: C22H22O11
Molecular Weight: 462.404341
Exact Mass: 462.116212
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aquino R., D'Agostino M., DeSimone F., Pizza C. Phytochemistry (1988) 27, 1827
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 113.2 |
| 4 (C) | 158 |
| 5 (C) | 158 |
| 6 (CH) | 96.7 |
| 7 (C) | 165 |
| 8 (CH) | 100 |
| 9 (C) | 157.2 |
| 10 (C) | 105.5 |
| 1' (C) | 132.9 |
| 2' (CH) | 117 |
| 3' (C) | 145.5 |
| 4' (C) | 147 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.6 |
| 5a (CH) | 101.5 |
| 5b (CH) | 74.6 |
| 5c (CH) | 78.3 |
| 5d (CH) | 71.2 |
| 5e (CH) | 77.7 |
| 5f (CH2) | 62.5 |
| 7a (CH3) | 56.5 |
