Spektraris NMR
5,6,7,8,8,3',4'-Hexamethoxyflavone-3-O-β-D-(4-O-(3-hydroxy-3-methyl-methylglutaroyl))glucoside
Common Name: 5,6,7,8,8,3',4'-Hexamethoxyflavone-3-O-β-D-(4-O-(3-hydroxy-3-methyl-methylglutaroyl))glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O18/c1-34(41,12-19(36)44-4)13-20(37)50-26-18(14-35)49-33(24(40)23(26)39)52-29-22(38)21-27(45-5)30(46-6)32(48-8)31(47-7)28(21)51-25(29)15-9-10-16(42-2)17(11-15)43-3/h9-11,18,23-24,26,33,35,39-41H,12-14H2,1-8H3/t18-,23-,24-,26-,33+,34?/m1/s1
InChIKey: InChIKey=SDHSZGRNOYHBEG-OYBDMLMGSA-N
Formula: C34H42O18
Molecular Weight: 738.687821
Exact Mass: 738.237115
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Sugiyama, S., Umehara, K., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 714-9
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 151 |
| 3 (C) | 146.2 |
| 4 (C) | 172.2 |
| 5 (C) | 143.5 |
| 6 (C) | 137.4 |
| 7 (C) | 151 |
| 8 (C) | 135.5 |
| 9 (C) | 148.2 |
| 10 (C) | 114.2 |
| 1' (C) | 122.7 |
| 2' (CH) | 111.5 |
| 3' (C) | 147.3 |
| 4' (C) | 153.6 |
| 5' (CH) | 112.5 |
| 6' (CH) | 121.7 |
| 1'' (CH) | 101 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 76.4 |
| 6'' (CH2) | 63.3 |
| 5a (CH3) | 61.9 |
| 6a (CH3) | 61.5 |
| 7a (CH3) | 61.7 |
| 8a (CH3) | 61.4 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.6 |
| 4''a (C) | 170 |
| 4''b (CH2) | 45.3 |
| 4''c (C) | 68.7 |
| 4''d (CH2) | 45 |
| 4''e (C) | 170.7 |
| 4''f (CH3) | 27.1 |
| 4''g (CH3) | 50.8 |
