Spektraris NMR
Kaempferide triglycoside
Common Name: Kaempferide triglycoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32-,33-,34-/m0/s1
InChIKey: InChIKey=DYZZIAIGKSRPMS-VYYFDYLYSA-N
Formula: C34H42O20
Molecular Weight: 770.686631
Exact Mass: 770.226944
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Curir P., Dolci M., Lanzotti V., Taglialatela-Scafati O. Phytochemistry (2001) 56, 717-21
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 159 |
| 3 (C) | 134.1 |
| 4 (C) | 180 |
| 5 (C) | 163.1 |
| 6 (CH) | 99.8 |
| 7 (C) | 166.1 |
| 8 (CH) | 95 |
| 9 (C) | 158.1 |
| 10 (C) | 105.1 |
| 1' (CH) | 101.4 |
| 2' (CH) | 81.5 |
| 3' (CH) | 77.5 |
| 4' (CH) | 71.9 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 74.5 |
| 3'' (CH) | 77.1 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 101.8 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 71.8 |
| 4''' (CH) | 73.8 |
| 5''' (CH) | 71.5 |
| 6''' (CH3) | 17.1 |
| 2a (C) | 124 |
| 2b (CH) | 132.8 |
| 2c (CH) | 115.8 |
| 2d (C) | 162.8 |
| 2e (CH) | 115.8 |
| 2f (CH) | 132.8 |
| 2ad (CH3) | 50.5 |
