Spektraris NMR
Swietenocoumarin F
Common Name: Swietenocoumarin F
Synonyms: Swietenocoumarin F
CAS Registry Number:
InChI: InChI=1S/C17H18O6/c1-17(2,20)12(18)8-11-15-10(6-7-22-15)14(21-3)9-4-5-13(19)23-16(9)11/h4-7,12,18,20H,8H2,1-3H3
InChIKey: InChIKey=CRAONLIHLOSKGE-UHFFFAOYSA-N
Formula: C17H18O6
Molecular Weight: 318.321873
Exact Mass: 318.110338
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
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) | 163.6 |
| 3 (CH) | 112.4 |
| 4 (CH) | 141.7 |
| 5 (C) | 149.4 |
| 6 (C) | 114 |
| 7 (C) | 159.3 |
| 8 (C) | 107.8 |
| 2' (CH) | 146.5 |
| 3' (CH) | 106.4 |
| 4a (C) | 106.8 |
| 5a (CH3) | 61 |
| 8a (C) | 151.5 |
| 8b (CH2) | 26.7 |
| 8c (CH) | 78.5 |
| 8d (C) | 74 |
| 8e (CH3) | 25.9 |
| 8ad (CH3) | 25.1 |
