Spektraris NMR
Picrotoxic acid
Common Name: Picrotoxic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O7/c1-5(2)7-8(11(17)18)14(20)4-6-15(22-6)12(19)21-10(9(7)16)13(14,15)3/h6-10,16,20H,1,4H2,2-3H3,(H,17,18)/t6?,7-,8+,9-,10+,13+,14+,15?/m1/s1
InChIKey: InChIKey=FMSCXBVRXBOZLV-TXTQTYOWSA-N
Formula: C15H18O7
Molecular Weight: 310.299807
Exact Mass: 310.105253
NMR Solvent: DMSO-d6
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) | 60 |
| 2 (CH) | 83 |
| 3 (CH) | 81.5 |
| 4 (CH) | 47.5 |
| 5 (CH) | 45 |
| 6 (C) | 87 |
| 7 (CH3) | 11.5 |
| 8 (C) | 145 |
| 9 (CH3) | 22.5 |
| 10 (CH2) | 114 |
| 11 (CH2) | 43.5 |
| 12 (CH) | 52 |
| 13 (C) | 48.5 |
| 14 (C) | 176 |
| 15 (C) | 170.5 |
