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-/m0/s1
InChIKey: InChIKey=OHOBPOYHROOXEI-JWMUNMLDSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Kondo, T. Phytochemistry (1999) 51, 1113-9
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) | 156.5 |
| 3 (C) | 133.2 |
| 4 (C) | 177.7 |
| 5 (C) | 161.4 |
| 6 (CH) | 98.9 |
| 7 (C) | 164.3 |
| 8 (CH) | 94 |
| 9 (C) | 156.7 |
| 10 (C) | 104.5 |
| 1' (C) | 121.3 |
| 2' (CH) | 131.1 |
| 3' (CH) | 115.3 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.3 |
| 6' (CH) | 131.1 |
| 1'' (CH) | 98.7 |
| 2'' (CH) | 78 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 70.9 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 61.1 |
| 1''' (CH) | 101 |
| 2''' (CH) | 70.5 |
| 3''' (CH) | 70.8 |
| 4''' (CH) | 72.2 |
| 5''' (CH) | 68.7 |
| 6''' (CH3) | 17.5 |
