Spektraris NMR
Thonningine C
Common Name: Thonningine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H22O8/c1-11(2)21-23(30-6)19-16(31-21)10-15-18(22(19)29-5)20(25)17(24(26)32-15)12-7-8-13(27-3)14(9-12)28-4/h7-10,25H,1H2,2-6H3
InChIKey: InChIKey=LREPZESSDJCNNE-UHFFFAOYSA-N
Formula: C24H22O8
Molecular Weight: 438.427598
Exact Mass: 438.131468
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asomaning, W.A., Otoo, E., Akoto, O., Oppong, I.V., Addae-Mensah, I., Waibel, R., Achenbach, H. Phytochemistry (1999) 51, 937-41
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 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) | 162.4 |
| 3 (C) | 105.1 |
| 4 (C) | 160.7 |
| 5 (C) | 148.3 |
| 6 (C) | 113.7 |
| 7 (C) | 151 |
| 8 (CH) | 97.3 |
| 9 (C) | 154.4 |
| 10 (C) | 104 |
| 1' (C) | 123.6 |
| 2' (CH) | 114 |
| 3' (C) | 148.6 |
| 4' (C) | 148.7 |
| 5' (CH) | 111 |
| 6' (CH) | 123.3 |
| 2'' (C) | 145.8 |
| 3'' (C) | 137.5 |
| 4'' (C) | 132 |
| 5a (CH3) | 65.4 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 55.9 |
| 3''a (CH3) | 62.8 |
| 4''a (CH3) | 19.3 |
| 4''b (CH2) | 115.4 |
