Spektraris NMR
chrysothol
Common Name: chrysothol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9(2)10-5-8-15(4)11-6-7-14(3,16)12(11)13(10)17-15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m1/s1
InChIKey: InChIKey=PEWNHOBTYNZGAR-YXJLRHLOSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: DMSO-d6
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) | 52.2 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 47.6 |
| 4 (C) | 73.5 |
| 5 (CH) | 67.7 |
| 6 (CH) | 75.1 |
| 7 (CH) | 37.6 |
| 8 (CH2) | 19.8 |
| 9 (CH2) | 37.1 |
| 10 (C) | 72.3 |
| 11 (CH) | 32.4 |
| 12 (CH3) | 20.8 |
| 13 (CH3) | 20.1 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 25.7 |
