Spektraris NMR
Methyl picrotoxate
Common Name: Methyl picrotoxate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O7/c1-6(2)8-9(12(17)21-4)15(19)5-7-16(20)13(18)23-11(10(8)22-7)14(15,16)3/h7-11,19-20H,1,5H2,2-4H3/t7?,8-,9+,10?,11+,14+,15+,16-/m1/s1
InChIKey: InChIKey=QYUXGWKGANGESL-BLOPQNRJSA-N
Formula: C16H20O7
Molecular Weight: 324.326424
Exact Mass: 324.120903
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) | 58.2 |
| 2 (CH) | 81.85 |
| 3 (CH) | 79.7 |
| 4 (CH) | 47.2 |
| 5 (CH) | 47.8 |
| 6 (C) | 85.5 |
| 7 (CH3) | 10.35 |
| 8 (C) | 141.7 |
| 9 (CH3) | 22.1 |
| 10 (CH2) | 112.8 |
| 11 (CH2) | 42.9 |
| 12 (CH) | 72.8 |
| 13 (C) | 80.3 |
| 14 (C) | 176.1 |
| 15 (C) | 173.3 |
| 15a (CH3) | 52.3 |
