Spektraris NMR
Kaempferol-3-O-rutinoside
Common Name: Kaempferol-3-O-rutinoside
Synonyms: Kaempferol-3-O-rutinoside
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18-,20+,21+,22+,23-,26+,27+/m1/s1
InChIKey: InChIKey=RTATXGUCZHCSNG-WLPGYADJSA-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) | 161.49 |
| 3 (C) | 135.51 |
| 4 (C) | 179.43 |
| 5 (C) | 163.01 |
| 6 (CH) | 99.96 |
| 7 (C) | 166.02 |
| 8 (CH) | 94.91 |
| 9 (C) | 158.56 |
| 10 (C) | 105.68 |
| 1' (C) | 122.76 |
| 2' (CH) | 132.37 |
| 3' (CH) | 116.13 |
| 4' (C) | 159.44 |
| 5' (CH) | 116.13 |
| 6' (CH) | 132.37 |
| 1'' (CH) | 104.58 |
| 2'' (CH) | 75.76 |
| 3'' (CH) | 78.15 |
| 4'' (CH) | 71.46 |
| 5'' (CH) | 77.22 |
| 6'' (CH2) | 68.57 |
| 1''' (CH) | 102.42 |
| 2''' (CH) | 72.09 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 73.89 |
| 5''' (CH) | 69.73 |
| 6''' (CH3) | 17.91 |
