Spektraris NMR
8-Lavandulylkaempferol
Common Name: 8-Lavandulylkaempferol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-6-16(14(3)4)11-18-19(27)12-20(28)21-22(29)23(30)24(31-25(18)21)15-7-9-17(26)10-8-15/h5,7-10,12,16,26-28,30H,3,6,11H2,1-2,4H3
InChIKey: InChIKey=RLJJIYPLHFCLRD-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Lin, T.W., Huang, Y.L., Wan, S.T., Shien, B.J., Chen, C.C. J Nat Prod (2006) 69, 1237-40
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) | 146.8 |
| 3 (C) | 136.5 |
| 4 (C) | 176.9 |
| 5 (C) | 160 |
| 6 (CH) | 98.7 |
| 7 (C) | 162.7 |
| 8 (C) | 106.6 |
| 9 (C) | 155.4 |
| 10 (C) | 104.1 |
| 1' (C) | 123.6 |
| 2' (CH) | 130.4 |
| 3' (CH) | 116.4 |
| 4' (C) | 160.2 |
| 5' (CH) | 116.4 |
| 6' (CH) | 130.4 |
| 1'' (CH2) | 28 |
| 2'' (CH) | 48 |
| 3'' (CH2) | 32 |
| 4'' (CH) | 124.1 |
| 5'' (C) | 132 |
| 6'' (CH3) | 17.9 |
| 7'' (CH3) | 25.9 |
| 8'' (C) | 148.8 |
| 9'' (CH2) | 111.7 |
| 10'' (CH3) | 19 |
