Spektraris NMR
Quercetin 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-Dgucopyranoside
Common Name: Quercetin 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-Dgucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H36O19/c37-12-22-26(43)29(46)31(48)35(53-22)51-17-10-20(41)25-21(11-17)52-33(15-4-7-18(39)19(40)9-15)34(28(25)45)55-36-32(49)30(47)27(44)23(54-36)13-50-24(42)8-3-14-1-5-16(38)6-2-14/h1-11,22-23,26-27,29-32,35-41,43-44,46-49H,12-13H2/b8-3+/t22-,23-,26-,27-,29+,30+,31-,32-,35-,36+/m1/s1
InChIKey: InChIKey=VASHBWYFPVZWGX-ZTALYCNZSA-N
Formula: C36H36O19
Molecular Weight: 772.661053
Exact Mass: 772.185079
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - el-Mousallami, A.M., Afifi, M.S., Hussein, S.A. Phytochemistry (2002) 60, 807-11
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) | 156.5 |
| 3 (C) | 133.1 |
| 4 (C) | 177.6 |
| 5 (C) | 160.8 |
| 6 (CH) | 99.2 |
| 7 (C) | 162.4 |
| 8 (CH) | 94.2 |
| 9 (C) | 156 |
| 10 (C) | 105.6 |
| 1' (C) | 122.1 |
| 2' (CH) | 115.3 |
| 3' (C) | 144.8 |
| 4' (C) | 148.8 |
| 5' (CH) | 115.9 |
| 6' (CH) | 121 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 77.5 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 74.4 |
| 6'' (CH2) | 63.7 |
| 1''' (CH) | 99.7 |
| 2''' (CH) | 73 |
| 3''' (CH) | 76.3 |
| 4''' (CH) | 69.6 |
| 5''' (CH) | 76.9 |
| 6''' (CH2) | 60.4 |
| 1'''' (C) | 165.9 |
| 2'''' (CH) | 115 |
| 3'''' (CH) | 144.3 |
| 4'''' (C) | 124.8 |
| 5'''' (CH) | 130.3 |
| 6'''' (CH) | 116.1 |
| 7'''' (C) | 159.9 |
| 8'''' (CH) | 116.1 |
| 9'''' (CH) | 130.3 |
