Spektraris NMR
Myricetin 3-O-rutinoside-3'-O-a-L-rhamnoside
Common Name: Myricetin 3-O-rutinoside-3'-O-a-L-rhamnoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O21/c1-8-18(37)23(42)26(45)31(49-8)48-7-16-21(40)25(44)28(47)33(53-16)54-30-22(41)17-12(35)5-11(34)6-14(17)51-29(30)10-3-13(36)20(39)15(4-10)52-32-27(46)24(43)19(38)9(2)50-32/h3-6,8-9,16,18-19,21,23-28,31-40,42-47H,7H2,1-2H3/t8-,9-,16+,18-,19-,21+,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1
InChIKey: InChIKey=CVELDUXNYWIRPI-PXZNGTTPSA-N
Formula: C33H40O21
Molecular Weight: 772.659418
Exact Mass: 772.206208
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7
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) | 157 |
| 3 (C) | 133.5 |
| 4 (C) | 178.3 |
| 5 (C) | 161.4 |
| 6 (CH) | 98.9 |
| 7 (C) | 163.6 |
| 8 (CH) | 94.1 |
| 9 (C) | 157.6 |
| 10 (C) | 106.3 |
| 1' (C) | 122.4 |
| 2' (CH) | 105.5 |
| 3' (C) | 147.7 |
| 4' (C) | 138.8 |
| 5' (C) | 149.1 |
| 6' (CH) | 108.5 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 75 |
| 3'' (CH) | 77.1 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 67.7 |
| 1''' (CH) | 98.4 |
| 2''' (CH) | 69.3 |
| 3''' (CH) | 70 |
| 4''' (CH) | 70.2 |
| 5''' (CH) | 68.6 |
| 6''' (CH3) | 17.6 |
| 1'''' (CH) | 99.1 |
| 2'''' (CH) | 69.8 |
| 3'''' (CH) | 70.6 |
| 4'''' (CH) | 71.3 |
| 5'''' (CH) | 71 |
| 6'''' (CH3) | 17.7 |
