Spektraris NMR
Quercetin 3-O-(6''-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside-7-O-b-D-glucopyranoside
Common Name: Quercetin 3-O-(6''-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside-7-O-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
InChIKey: InChIKey=SPUFXPFDJYNCFD-YQJBXTIASA-N
Formula: C33H40O21
Molecular Weight: 772.659418
Exact Mass: 772.206208
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) | 156.37 |
| 3 (C) | 133.91 |
| 4 (C) | 177.9 |
| 5 (C) | 161.25 |
| 6 (CH) | 99.68 |
| 7 (C) | 163.19 |
| 8 (CH) | 94.88 |
| 9 (C) | 157.53 |
| 10 (C) | 105.98 |
| 1' (C) | 122.01 |
| 2' (CH) | 115.61 |
| 3' (C) | 145.16 |
| 4' (C) | 149.01 |
| 5' (CH) | 116.85 |
| 6' (CH) | 121.36 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 74.42 |
| 3'' (CH) | 76.35 |
| 4'' (CH) | 70.38 |
| 5'' (CH) | 76.81 |
| 6'' (CH2) | 67.33 |
| 1''' (CH) | 101.07 |
| 2''' (CH) | 70.71 |
| 3''' (CH) | 70.92 |
| 4''' (CH) | 72.21 |
| 5''' (CH) | 68.57 |
| 6''' (CH3) | 18.08 |
| 1'''' (CH) | 100.25 |
| 2'''' (CH) | 73.5 |
| 3'''' (CH) | 76.64 |
| 4'''' (CH) | 69.95 |
| 5'''' (CH) | 77.51 |
| 6'''' (CH2) | 61.01 |
