Spektraris NMR
8β-Hydroxytrichothecene
Common Name: 8β-Hydroxytrichothecene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-6-12-13(2,7-10(9)16)14(3)5-4-11(18-12)15(14)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1
InChIKey: InChIKey=WPNKGWCTEQJZRZ-LACSLYJWSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Corley, D.G., Rottinghaus, G.E., Tracy, J.K., Tempesta, M.S. Tetrahedron Lett (1986) 27, 4133-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Trichothecanes; 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 |
|---|---|
| 2 (CH) | 81.6 |
| 3 (CH2) | 30.2 |
| 4 (CH2) | 36.8 |
| 5 (C) | 46.8 |
| 6 (C) | 44.8 |
| 7 (CH) | 71.6 |
| 8 (CH) | 128.9 |
| 9 (C) | 136.2 |
| 10 (CH) | 69.2 |
| 11 (CH2) | 39.9 |
| 12 (C) | 69.1 |
| 13 (CH2) | 49.3 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 13.5 |
| 16 (CH3) | 18.2 |
