Spektraris NMR
Picrotoxinin
Common Name: Picrotoxinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6?,7-,8+,9+,10+,13+,14+,15?/m1/s1
InChIKey: InChIKey=PIMZUZSSNYHVCU-DUYFMSIUSA-N
Formula: C15H16O6
Molecular Weight: 292.28452
Exact Mass: 292.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Agarwal, S.K., Singh, S.S., Verma, S., Kumar, S. Phytochemistry (1999) 50, 1365-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Picrotoxanes; 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 |
|---|---|
| 1 (C) | 66.2 |
| 2 (CH) | 81.4 |
| 3 (CH) | 82.5 |
| 4 (CH) | 45.1 |
| 5 (CH) | 63.7 |
| 6 (C) | 74.5 |
| 7 (CH3) | 10.8 |
| 8 (C) | 141.8 |
| 9 (CH3) | 23.2 |
| 10 (CH2) | 112.2 |
| 11 (CH2) | 42.9 |
| 12 (CH) | 52.5 |
| 13 (C) | 50.1 |
| 14 (C) | 176.7 |
| 15 (C) | 175.2 |
