Spektraris NMR
8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
![8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one](/nmr/static/nmr/svg/8200.svg)
Common Name: 8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonyms: 8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C26H28O12/c1-3-4-9-35-25(33)24-20(31)19(30)21(32)26(38-24)37-22-16(29)10-14(27)18-15(28)11-17(36-23(18)22)12-5-7-13(34-2)8-6-12/h5-8,10-11,19-21,24,26-27,29-32H,3-4,9H2,1-2H3/t19-,20-,21+,24-,26+/m0/s1
InChIKey: InChIKey=NSUHKBNUFZSKRR-BXXVLEOKSA-N
Formula: C26H28O12
Molecular Weight: 532.494334
Exact Mass: 532.158076
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Saiki, Y., Hama, T., Fujimoto, Y., Endang, H., Umar, M., Satake, T. Phytochemistry (2001) 57, 297-301
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 162.59 |
| 3 (CH) | 102.76 |
| 4 (C) | 181.31 |
| 5 (C) | 157.4 |
| 6 (CH) | 99.68 |
| 7 (C) | 162.08 |
| 8 (C) | 125.69 |
| 9 (C) | 149.32 |
| 10 (C) | 101.87 |
| 1' (C) | 122.99 |
| 2' (CH) | 128.48 |
| 3' (CH) | 114.34 |
| 4' (C) | 162.08 |
| 5' (CH) | 114.34 |
| 6' (CH) | 128.48 |
| 1'' (CH) | 106.73 |
| 2'' (CH) | 73.81 |
| 3'' (CH) | 75.36 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 75.68 |
| 6'' (C) | 168.94 |
| 4'b (CH3) | 55.44 |
| 6''b (CH2) | 64.2 |
| 6''c (CH2) | 29.35 |
| 6''d (CH2) | 18.34 |
| 6''e (CH3) | 13.34 |
