Spektraris NMR
Quercetin 3-O-α-L-rhamnopyranosyl(1-->6)-(3-O-trans-p-coumaroyl)-β-D-galactopyranoside
Common Name: Quercetin 3-O-α-L-rhamnopyranosyl(1-->6)-(3-O-trans-p-coumaroyl)-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H36O18/c1-14-26(43)29(46)30(47)35(50-14)49-13-23-27(44)33(53-24(42)9-4-15-2-6-17(37)7-3-15)31(48)36(52-23)54-34-28(45)25-21(41)11-18(38)12-22(25)51-32(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,33,35-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27-,29+,30+,31+,33-,35+,36-/m0/s1
InChIKey: InChIKey=XMDQISLNHUQSJJ-XENQWPOYSA-N
Formula: C36H36O18
Molecular Weight: 756.661648
Exact Mass: 756.190164
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh, A., Tanahashi, T., Nagakura, N., Takenaka, Y., Chen, C.C., Pelletier, J. J Nat Prod (2004) 67, 427-31
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) | 159 |
| 3 (C) | 135.8 |
| 4 (C) | 179.4 |
| 5 (C) | 163 |
| 6 (CH) | 100 |
| 7 (C) | 166.2 |
| 8 (CH) | 94.9 |
| 9 (C) | 158.5 |
| 10 (C) | 105.6 |
| 1' (C) | 122.8 |
| 2' (CH) | 117.9 |
| 3' (C) | 145.9 |
| 4' (C) | 150.1 |
| 5' (CH) | 116.2 |
| 6' (CH) | 123.1 |
| 1'' (CH) | 105.7 |
| 2'' (CH) | 70.8 |
| 3'' (CH) | 77.5 |
| 4'' (CH) | 67.8 |
| 5'' (CH) | 75 |
| 6'' (CH2) | 66.7 |
| 1''' (C) | 168.7 |
| 2''' (CH) | 115.3 |
| 3''' (CH) | 147 |
| 4''' (C) | 127.3 |
| 5''' (CH) | 131.3 |
| 6''' (CH) | 116.9 |
| 7''' (C) | 161.4 |
| 8''' (CH) | 116.9 |
| 9''' (CH) | 131.3 |
| 1'''' (CH) | 101.9 |
| 2'''' (CH) | 72.1 |
| 3'''' (CH) | 72.3 |
| 4'''' (CH) | 73.9 |
| 5'''' (CH) | 69.8 |
| 6'''' (CH3) | 18 |
