Spektraris NMR
9-Oxo-tournefortiolide
Common Name: 9-Oxo-tournefortiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-5-4-6-15(3)11(16)7-10-9(2)14(17)18-13(10)12(8)15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1
InChIKey: InChIKey=CPHPAWJXZHHPEN-PSOPSSQASA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rustaiyan, A., Bamonieri, A., Raffatrad, M., Jakupovic, J., Bohlmann, F. Phytochemistry (1987) 26, 2307-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 34 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 32 |
| 4 (C) | 128.1 |
| 5 (C) | 137.8 |
| 6 (CH) | 75.1 |
| 7 (CH) | 37.3 |
| 8 (CH2) | 40.8 |
| 9 (C) | 213.3 |
| 10 (C) | 47 |
| 11 (C) | 139.6 |
| 12 (C) | 169.4 |
| 13 (CH2) | 123.9 |
| 14 (CH3) | 19.4 |
| 15 (CH3) | 24.4 |
