Spektraris NMR
4-(3,4-Dihydroxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-7-methoxycoumarin
![4-(3,4-Dihydroxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-7-methoxycoumarin](/nmr/static/nmr/svg/5653.svg)
Common Name: 4-(3,4-Dihydroxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-7-methoxycoumarin
Synonyms: 4-(3,4-Dihydroxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-7-methoxycoumarin
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1
InChIKey: InChIKey=GXDJGKMWLJOJFR-WUSKNVGPSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
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) | 162.9 |
| 3 (CH) | 113.3 |
| 4 (C) | 158.1 |
| 5 (C) | 158.1 |
| 6 (CH) | 96.6 |
| 7 (C) | 165 |
| 8 (CH) | 100.6 |
| 9 (C) | 157.1 |
| 10 (C) | 105.8 |
| 1' (C) | 133 |
| 2' (CH) | 117 |
| 3' (C) | 145.5 |
| 4' (C) | 147 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.7 |
| 5a (CH) | 101.6 |
| 5b (CH) | 74.6 |
| 5c (CH) | 77.7 |
| 5d (CH) | 71.1 |
| 5e (CH) | 77.7 |
| 5f (CH2) | 70.3 |
| 5g (CH) | 105.5 |
| 5h (CH) | 74.9 |
| 5i (CH) | 77.3 |
| 5j (CH) | 71.4 |
| 5k (CH2) | 66.8 |
| 7a (CH3) | 56.6 |
