Spektraris NMR
Kaempferol 3-O-(6''-O-E-caffeoyl)-β-D-galactopyranoside
Common Name: Kaempferol 3-O-(6''-O-E-caffeoyl)-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+/t21-,24+,26+,27-,30+/m1/s1
InChIKey: InChIKey=GZORMMCZSCNNCI-VSXFDNRNSA-N
Formula: C30H26O14
Molecular Weight: 610.520206
Exact Mass: 610.132256
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calzada, F., Cedillo-Rivera, R., Mata, R. J Nat Prod (2001) 64, 671-3
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) | 157.1 |
| 3 (C) | 133.7 |
| 4 (C) | 177.7 |
| 5 (C) | 161.2 |
| 6 (CH) | 99.2 |
| 7 (C) | 166.3 |
| 8 (CH) | 93.8 |
| 9 (C) | 157 |
| 10 (C) | 104.1 |
| 1' (C) | 121.4 |
| 2' (CH) | 130.7 |
| 3' (CH) | 114.6 |
| 4' (C) | 149.3 |
| 5' (CH) | 114.6 |
| 6' (CH) | 130.7 |
| 1'' (CH) | 102.8 |
| 2'' (CH) | 74.3 |
| 3'' (CH) | 70.2 |
| 4'' (CH) | 70.3 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 62.9 |
| 1''' (C) | 167.4 |
| 2''' (CH) | 113.7 |
| 3''' (CH) | 145.6 |
| 4''' (C) | 126.2 |
| 5''' (CH) | 113.2 |
| 6''' (C) | 145.1 |
| 7''' (C) | 148.3 |
| 8''' (CH) | 115 |
| 9''' (CH) | 121.7 |
