Spektraris NMR
Cnidilin
Common Name: Cnidilin
Synonyms: Cnidilin
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
InChIKey: InChIKey=NNDOCYLWULORAM-UHFFFAOYSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
NMR Solvent: CDCl3
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) | 160.5 |
| 3 (CH) | 112.8 |
| 4 (CH) | 139.4 |
| 5 (C) | 144.4 |
| 6 (C) | 114.5 |
| 7 (C) | 150.8 |
| 8 (C) | 126.9 |
| 2' (CH) | 145.1 |
| 3' (CH) | 105 |
| 4a (C) | 107.5 |
| 5a (CH2) | 70.4 |
| 5b (CH) | 119 |
| 5c (C) | 139.7 |
| 5d (CH3) | 18 |
| 5ac (CH3) | 25.8 |
| 8a (C) | 144.4 |
| 8b (CH3) | 60.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.