Spektraris NMR
Quercetin 3-(2-rhamnosylrutinoside)
Common Name: Quercetin 3-(2-rhamnosylrutinoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17-,19-,20-,21-,23+,24+,25+,26+,27+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=HKNBJSRIYRDSLB-SYYFYUCJSA-N
Formula: C33H40O20
Molecular Weight: 756.660013
Exact Mass: 756.211294
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) | 134.45 |
| 4 (C) | 179.29 |
| 5 (C) | 163.15 |
| 6 (CH) | 99.74 |
| 7 (C) | 165.58 |
| 8 (CH) | 94.69 |
| 9 (C) | 158.44 |
| 10 (C) | 105.93 |
| 1' (C) | 123.45 |
| 2' (CH) | 117.43 |
| 3' (C) | 145.91 |
| 4' (C) | 149.54 |
| 5' (CH) | 116.06 |
| 6' (CH) | 123.55 |
| 1'' (CH) | 100.5 |
| 2'' (CH) | 80.06 |
| 3'' (CH) | 78.93 |
| 4'' (CH) | 71.89 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 68.3 |
| 1''' (CH) | 102.64 |
| 2''' (CH) | 72.41 |
| 3''' (CH) | 72.31 |
| 4''' (CH) | 74.07 |
| 5''' (CH) | 69.96 |
| 6''' (CH3) | 17.51 |
| 1'''' (CH) | 102.26 |
| 2'''' (CH) | 72.15 |
| 3'''' (CH) | 72.28 |
| 4'''' (CH) | 73.88 |
| 5'''' (CH) | 69.71 |
| 6'''' (CH3) | 17.81 |
