Spektraris NMR
FS-1
Common Name: FS-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10-4-5-14(2,13(18)6-10)15(3)8-12(17)7-11(15)9-16/h6-7,13,16,18H,4-5,8-9H2,1-3H3/t13-,14-,15-/m0/s1
InChIKey: InChIKey=GGGYNDMJSLHHEM-KKUMJFAQSA-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) | 129.7 |
| 3 (C) | 207.6 |
| 4 (CH2) | 50.1 |
| 5 (C) | 52.8 |
| 6 (C) | 41.9 |
| 7 (CH2) | 29.8 |
| 8 (CH2) | 27.3 |
| 9 (C) | 136.4 |
| 10 (CH) | 124.9 |
| 11 (CH) | 71.2 |
| 12 (C) | 186.9 |
| 13 (CH2) | 61.1 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 12.9 |
| 16 (CH3) | 22.5 |
