Spektraris NMR
Lilaline
Common Name: Lilaline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H17NO7/c1-8-11(7-21-20(8)27)14-12(23)6-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-6,8,11,22-24,26H,7H2,1H3,(H,21,27)
InChIKey: InChIKey=LMSOAZSEBUAXJK-UHFFFAOYSA-N
Formula: C20H17N1O7
Molecular Weight: 383.352288
Exact Mass: 383.100502
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Masterova, I., Uhrin, D., Tomko, J. Phytochemistry (1987) 26, 1844-5
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) | 148.5 |
| 3 (C) | 137.1 |
| 4 (C) | 177.5 |
| 5 (C) | 155.9 |
| 6 (CH) | 99.3 |
| 7 (C) | 163.7 |
| 8 (C) | 106.8 |
| 9 (C) | 161.8 |
| 10 (C) | 104.8 |
| 1' (C) | 123.6 |
| 2' (CH) | 130.8 |
| 3' (CH) | 116.5 |
| 4' (C) | 160.7 |
| 5' (CH) | 116.5 |
| 6' (CH) | 130.8 |
| 8a (CH) | 38.3 |
| 8b (CH) | 35.9 |
| 8c (C) | 183.9 |
| 8d (CH2) | 48.1 |
| 8ba (CH3) | 17.5 |
