Spektraris NMR
Chrysothol monoacetyl
Common Name: Chrysothol monoacetyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-10(2)12-6-8-16(4)13-7-9-17(5,19-11(3)18)14(13)15(12)20-16/h10,12-15H,6-9H2,1-5H3/t12-,13+,14+,15-,16-,17-/m1/s1
InChIKey: InChIKey=QKHALNYOKYZXET-VCCANDMLSA-N
Formula: C17H28O3
Molecular Weight: 280.403066
Exact Mass: 280.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Hegazy, M.E., Hassan, N.M., Wojcinska, M., Karchesy, J., Pare, P.W., Mabry, T.J. Phytochemistry (2006) 67, 1547-53
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) | 52.3 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 46.4 |
| 4 (C) | 82.2 |
| 5 (CH) | 66.5 |
| 6 (CH) | 77.9 |
| 7 (CH) | 37.8 |
| 8 (CH2) | 19.9 |
| 9 (CH2) | 37.2 |
| 10 (C) | 73.9 |
| 11 (CH) | 32.3 |
| 12 (CH3) | 20.1 |
| 13 (CH3) | 21.1 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 21.6 |
| 4a (C) | 170.6 |
| 4b (CH3) | 22 |
