Spektraris NMR
Kaempferol 3-O-b-D-glucosyl(1?2)-(6íí-O-acetyl)-b-D-galactoside 7-O-b-D-glucoside
Common Name: Kaempferol 3-O-b-D-glucosyl(1?2)-(6íí-O-acetyl)-b-D-galactoside 7-O-b-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O22/c1-11(38)50-10-19-22(42)26(46)28(48)34(55-19)56-31-23(43)18(9-37)54-35(29(31)49)57-32-24(44)20-15(40)6-14(51-33-27(47)25(45)21(41)17(8-36)53-33)7-16(20)52-30(32)12-2-4-13(39)5-3-12/h2-7,17-19,21-23,25-29,31,33-37,39-43,45-49H,8-10H2,1H3/t17-,18-,19-,21-,22+,23-,25+,26+,27-,28-,29-,31+,33-,34+,35+/m1/s1
InChIKey: InChIKey=YNAUNEWLQUSBKH-VNBJZVNUSA-N
Formula: C35H42O22
Molecular Weight: 814.696176
Exact Mass: 814.216773
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Han, Y., Nishibe, S., Noguchi, Y., Jin, Z. Phytochemistry (2001) 58, 577-80
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) | 156.1 |
| 3 (C) | 133.1 |
| 4 (C) | 177.7 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.3 |
| 7 (C) | 162.9 |
| 8 (CH) | 94.6 |
| 9 (C) | 155.9 |
| 10 (C) | 105.5 |
| 1' (C) | 120.7 |
| 2' (CH) | 131.2 |
| 3' (CH) | 115.4 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.4 |
| 6' (CH) | 131.2 |
| 1'' (CH) | 98.1 |
| 2'' (CH) | 80.7 |
| 3'' (CH) | 73.2 |
| 4'' (CH) | 68 |
| 5'' (CH) | 73.1 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 104.6 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 76.5 |
| 4''' (CH) | 69.6 |
| 5''' (CH) | 77.1 |
| 6''' (CH2) | 60.7 |
| 1'''' (CH) | 99.9 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 76.6 |
| 4'''' (CH) | 69.6 |
| 5'''' (CH) | 77.2 |
| 6'''' (CH2) | 60.8 |
| 6''a (C) | 169.3 |
| 6''b (CH3) | 20.4 |
