Spektraris NMR
Acetyltrifocusolide lactone
Common Name: Acetyltrifocusolide lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O4/c1-9-5-6-13-14(9)15-12(10(2)16(19)20-15)7-8-17(13,4)21-11(3)18/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14-,15-,17+/m0/s1
InChIKey: InChIKey=UJTCKFDEWCJWSP-CEEVZKBLSA-N
Formula: C17H22O4
Molecular Weight: 290.354827
Exact Mass: 290.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Neves, M., Morais, R., Gafner, S., Stoeckli-Evans, H., Hostettmann, K. Phytochemistry (1999) 50, 967-72
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 50.8 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 29.4 |
| 4 (C) | 139.3 |
| 5 (CH) | 51.9 |
| 6 (CH) | 80.4 |
| 7 (CH) | 44.3 |
| 8 (CH2) | 24.2 |
| 9 (CH2) | 30.6 |
| 10 (C) | 86 |
| 11 (C) | 141.2 |
| 12 (C) | 170.1 |
| 13 (CH2) | 119.5 |
| 14 (CH3) | 26.1 |
| 15 (CH2) | 110.6 |
| 10a (C) | 169.7 |
| 10b (CH3) | 22.4 |
