Spektraris NMR
Kaempferol 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-D-glucopyranoside
Common Name: Kaempferol 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-11-20(40)25-21(12-19)51-33(16-4-8-18(39)9-5-16)34(28(25)44)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,32-,35-,36+/m1/s1
InChIKey: InChIKey=ICHAVOGAOVFEKK-HWPGJSKQSA-N
Formula: C36H36O18
Molecular Weight: 756.661648
Exact Mass: 756.190164
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - el-Mousallami, A.M., Afifi, M.S., Hussein, S.A. Phytochemistry (2002) 60, 807-11
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) | 156.9 |
| 3 (C) | 133.4 |
| 4 (C) | 177.6 |
| 5 (C) | 160.8 |
| 6 (CH) | 99.3 |
| 7 (C) | 162.8 |
| 8 (CH) | 94.4 |
| 9 (C) | 155.9 |
| 10 (C) | 105.5 |
| 1' (C) | 120.9 |
| 2' (CH) | 130.3 |
| 3' (CH) | 115.9 |
| 4' (C) | 159.8 |
| 5' (CH) | 115.9 |
| 6' (CH) | 130.3 |
| 1'' (CH) | 100.6 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 77.2 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 74.5 |
| 6'' (CH2) | 63.5 |
| 1''' (C) | 166.1 |
| 2''' (CH) | 114.7 |
| 3''' (CH) | 144 |
| 4''' (C) | 124.6 |
| 5''' (CH) | 130 |
| 6''' (CH) | 115.9 |
| 7''' (C) | 159.9 |
| 8''' (CH) | 115.9 |
| 9''' (CH) | 130 |
| 1'''' (CH) | 99.9 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 76.4 |
| 4'''' (CH) | 69.7 |
| 5'''' (CH) | 76.4 |
| 6'''' (CH2) | 60.1 |
