Spektraris NMR
Kaempferol 3-O-(2'',6''-di-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside
Common Name: Kaempferol 3-O-(2'',6''-di-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m1/s1
InChIKey: InChIKey=WRXVPTMENPZUIZ-ARHRPCEMSA-N
Formula: C33H40O19
Molecular Weight: 740.660608
Exact Mass: 740.216379
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) | 156.82 |
| 3 (C) | 132.9 |
| 4 (C) | 177.52 |
| 5 (C) | 161.56 |
| 6 (CH) | 98.97 |
| 7 (C) | 164.81 |
| 8 (CH) | 94.13 |
| 9 (C) | 157.15 |
| 10 (C) | 104.23 |
| 1' (C) | 121.33 |
| 2' (CH) | 131.04 |
| 3' (CH) | 115.42 |
| 4' (C) | 160.12 |
| 5' (CH) | 115.42 |
| 6' (CH) | 131.04 |
| 1'' (CH) | 101.12 |
| 2'' (CH) | 77.69 |
| 3'' (CH) | 75.93 |
| 4'' (CH) | 70.94 |
| 5'' (CH) | 77.42 |
| 6'' (CH2) | 67.21 |
| 1''' (CH) | 98.97 |
| 2''' (CH) | 70.67 |
| 3''' (CH) | 70.94 |
| 4''' (CH) | 72.16 |
| 5''' (CH) | 68.59 |
| 6''' (CH3) | 17.62 |
| 1'''' (CH) | 100.93 |
| 2'''' (CH) | 70.67 |
| 3'''' (CH) | 70.94 |
| 4'''' (CH) | 72.16 |
| 5'''' (CH) | 68.59 |
| 6'''' (CH3) | 18.03 |
