Spektraris NMR
Thonningine A
Common Name: Thonningine A
Synonyms: Thonningine A
CAS Registry Number:
InChI: InChI=1S/C23H18O8/c1-10(2)14-8-12-19(26-3)17-18(24)16(11-5-6-13-15(7-11)29-9-28-13)23(25)31-21(17)22(27-4)20(12)30-14/h5-8,24H,1,9H2,2-4H3
InChIKey: InChIKey=DHHUFQCTMOFVTD-UHFFFAOYSA-N
Formula: C23H18O8
Molecular Weight: 422.385099
Exact Mass: 422.100168
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) | 160.3 |
| 3 (C) | 104.9 |
| 4 (C) | 160.7 |
| 5 (C) | 148.2 |
| 6 (C) | 113.6 |
| 7 (C) | 151 |
| 8 (C) | 97.2 |
| 9 (C) | 160.2 |
| 10 (C) | 103.9 |
| 1' (C) | 124.5 |
| 2' (CH) | 108 |
| 3' (C) | 147.1 |
| 4' (C) | 147.3 |
| 5' (CH) | 111.1 |
| 6' (CH) | 124.3 |
| 2'' (C) | 145.7 |
| 3'' (CH) | 137.4 |
| 4'' (C) | 132 |
| 5a (CH3) | 65.2 |
| 8a (CH3) | 62.6 |
| 3'a (CH2) | 100.9 |
| 4''a (CH3) | 19.2 |
| 4''b (CH2) | 115.3 |
