Spektraris NMR
5,6,7,8,3',4'-Hexamethoxy-3-hydroxyflavone3-O-β-D-(4-O-(3-hydroxy-3-methylglutaroyl))glucoside
Common Name: 5,6,7,8,3',4'-Hexamethoxy-3-hydroxyflavone3-O-β-D-(4-O-(3-hydroxy-3-methylglutaroyl))glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)/t17-,22-,23-,25-,32+,33?/m1/s1
InChIKey: InChIKey=CVXKGASPLHAFDX-ACIMVYIHSA-N
Formula: C33H40O18
Molecular Weight: 724.661203
Exact Mass: 724.221464
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) | 148.1 |
| 10 (C) | 114.2 |
| 1' (C) | 122.7 |
| 2' (CH) | 111.6 |
| 3' (C) | 147.3 |
| 4' (C) | 153.6 |
| 5' (CH) | 112.5 |
| 6' (CH) | 121.8 |
| 1'' (CH) | 101 |
| 2'' (CH) | 74.3 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 76.4 |
| 6'' (CH2) | 62.8 |
| 5a (CH3) | 61.9 |
| 6a (CH3) | 61.8 |
| 7a (CH3) | 61.5 |
| 8a (CH3) | 61.4 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.6 |
| 4''a (C) | 170.3 |
| 4''b (CH2) | 46.7 |
| 4''c (C) | 68.5 |
| 4''d (CH2) | 47 |
| 4''e (C) | 175.7 |
| 4''f (CH3) | 27.9 |
