Spektraris NMR
kaempferol 3-neohesperidoside
Common Name: kaempferol 3-neohesperidoside
Synonyms: kaempferol 3-neohesperidoside
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15-,17-,18-,20+,21+,22+,25-,26-,27+/m1/s1
InChIKey: InChIKey=OHOBPOYHROOXEI-JWEWDLEYSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 161.29 |
| 3 (C) | 134.44 |
| 4 (C) | 179.39 |
| 5 (C) | 163.2 |
| 6 (CH) | 99.69 |
| 7 (C) | 165.62 |
| 8 (CH) | 94.56 |
| 9 (C) | 158.43 |
| 10 (C) | 105.99 |
| 1' (C) | 123.14 |
| 2' (CH) | 132.09 |
| 3' (CH) | 116.09 |
| 4' (C) | 158.52 |
| 5' (CH) | 116.09 |
| 6' (CH) | 132.09 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 80.06 |
| 3'' (CH) | 78.94 |
| 4'' (CH) | 71.85 |
| 5'' (CH) | 78.35 |
| 6'' (CH2) | 62.66 |
| 1''' (CH) | 102.6 |
| 2''' (CH) | 72.41 |
| 3''' (CH) | 72.31 |
| 4''' (CH) | 74.06 |
| 5''' (CH) | 69.91 |
| 6''' (CH3) | 17.53 |
