Spektraris NMR
Quercetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside
Common Name: Quercetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O21/c1-9-19(39)25(45)30(54-32-27(47)24(44)21(41)17(8-35)52-32)33(48-9)53-29-22(42)18-14(38)5-11(49-31-26(46)23(43)20(40)16(7-34)51-31)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,30+,31+,32-,33-/m0/s1
InChIKey: InChIKey=NBUFNRXXPHGPRF-INGGROSUSA-N
Formula: C33H40O21
Molecular Weight: 772.659418
Exact Mass: 772.206208
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Nielsen, J.K., Kondo, T. Phytochemistry (1999) 51, 1139-46
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) | 156.9 |
| 3 (C) | 135.9 |
| 4 (C) | 178.4 |
| 5 (C) | 162.2 |
| 6 (CH) | 100.3 |
| 7 (C) | 163.9 |
| 8 (CH) | 95.1 |
| 9 (C) | 156.9 |
| 10 (C) | 107.7 |
| 1' (C) | 122.1 |
| 2' (CH) | 117 |
| 3' (C) | 147.1 |
| 4' (C) | 158.8 |
| 5' (CH) | 116.5 |
| 6' (CH) | 121.7 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 82.7 |
| 3'' (CH) | 72.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 73.7 |
| 6'' (CH3) | 18.1 |
| 1''' (CH) | 106.9 |
| 2''' (CH) | 75.7 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 79 |
| 6''' (CH2) | 62.3 |
| 1'''' (CH) | 101.6 |
| 2'''' (CH) | 74.7 |
| 3'''' (CH) | 78.3 |
| 4'''' (CH) | 70.9 |
| 5'''' (CH) | 78.5 |
| 6'''' (CH2) | 62.2 |
