Spektraris NMR
Quercetin 3-O-2'',6''-di-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside
Common Name: Quercetin 3-O-2'',6''-di-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside
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-DEDBKQFESA-N
Formula: C33H40O20
Molecular Weight: 756.660013
Exact Mass: 756.211294
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lu, Y., Sun, Y., Foo, L.Y., McNabb, W.C., Molan, A.L. Phytochemistry (2000) 55, 67-75
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) | 156.71 |
| 3 (C) | 133.05 |
| 4 (C) | 177.57 |
| 5 (C) | 161.59 |
| 6 (CH) | 98.96 |
| 7 (C) | 164.32 |
| 8 (CH) | 93.88 |
| 9 (C) | 157.02 |
| 10 (C) | 101.12 |
| 1' (C) | 121.58 |
| 2' (CH) | 115.48 |
| 3' (C) | 145.11 |
| 4' (C) | 148.63 |
| 5' (CH) | 116.47 |
| 6' (CH) | 121.94 |
| 1'' (CH) | 104.34 |
| 2'' (CH) | 98.96 |
| 3'' (CH) | 77.55 |
| 4'' (CH) | 70.71 |
| 5'' (CH) | 76.09 |
| 6'' (CH2) | 70.9 |
| 1''' (CH) | 70.9 |
| 2''' (CH) | 72.21 |
| 3''' (CH) | 77.55 |
| 4''' (CH) | 68.59 |
| 5''' (CH) | 67.43 |
| 6''' (CH3) | 17.55 |
| 1'''' (CH) | 100.81 |
| 2'''' (CH) | 70.71 |
| 3'''' (CH) | 70.9 |
| 4'''' (CH) | 72.21 |
| 5'''' (CH) | 68.59 |
| 6'''' (CH3) | 18.02 |
