Spektraris NMR
Myricetin 3-O-(2'',6''-di-O-a-rhamnosyl)-b-glucoside
Common Name: Myricetin 3-O-(2'',6''-di-O-a-rhamnosyl)-b-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O21/c1-8-18(38)23(43)26(46)31(49-8)48-7-16-21(41)25(45)30(54-32-27(47)24(44)19(39)9(2)50-32)33(52-16)53-29-22(42)17-12(35)5-11(34)6-15(17)51-28(29)10-3-13(36)20(40)14(37)4-10/h3-6,8-9,16,18-19,21,23-27,30-41,43-47H,7H2,1-2H3/t8-,9-,16-,18-,19-,21-,23+,24+,25+,26+,27+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=DORABKJYWOFZGC-OANINHMYSA-N
Formula: C33H40O21
Molecular Weight: 772.659418
Exact Mass: 772.206208
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 158.94 |
| 3 (C) | 134.58 |
| 4 (C) | 179.25 |
| 5 (C) | 163.1 |
| 6 (CH) | 99.72 |
| 7 (C) | 165.57 |
| 8 (CH) | 94.65 |
| 9 (C) | 158.39 |
| 10 (C) | 105.9 |
| 1' (C) | 122.53 |
| 2' (CH) | 110.24 |
| 3' (C) | 146.35 |
| 4' (C) | 137.85 |
| 5' (C) | 146.35 |
| 6' (CH) | 110.24 |
| 1'' (CH) | 100.54 |
| 2'' (CH) | 80.35 |
| 3'' (CH) | 78.85 |
| 4'' (CH) | 71.79 |
| 5'' (CH) | 77.08 |
| 6'' (CH2) | 68.31 |
| 1''' (CH) | 102.74 |
| 2''' (CH) | 72.38 |
| 3''' (CH) | 72.29 |
| 4''' (CH) | 74.07 |
| 5''' (CH) | 70.03 |
| 6''' (CH3) | 17.44 |
| 1'''' (CH) | 102.22 |
| 2'''' (CH) | 72.17 |
| 3'''' (CH) | 72.22 |
| 4'''' (CH) | 73.92 |
| 5'''' (CH) | 69.71 |
| 6'''' (CH3) | 17.79 |
