Spektraris NMR
Kaempferol-3-O-β-D-glucoside
Common Name: Kaempferol-3-O-β-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
InChIKey: InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Yoshioka, K., Saiki, Y., Ikuta, A., Satake, T. Phytochemistry (1997) 44, 141-4
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) | 156.3 |
| 3 (C) | 133 |
| 4 (C) | 177.4 |
| 5 (C) | 161.1 |
| 6 (CH) | 98.7 |
| 7 (C) | 164.1 |
| 8 (CH) | 93.6 |
| 9 (C) | 156.3 |
| 10 (C) | 104.1 |
| 1' (C) | 121 |
| 2' (CH) | 130.7 |
| 3' (CH) | 115 |
| 4' (C) | 159.8 |
| 5' (CH) | 115 |
| 6' (CH) | 130.7 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 77.2 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 76.5 |
| 6'' (CH2) | 61 |
