Spektraris NMR
Demethylsalvicanol
Common Name: Demethylsalvicanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-16-19(3,4)8-5-9-20(16,23)11-15(13)18(22)17(14)21/h10,12,16,21-23H,5-9,11H2,1-4H3/t16-,20-/m0/s1
InChIKey: InChIKey=XZANDTPHDIYTME-JXFKEZNVSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Diaz, C.E., Guadano, A., Gonzalez-Coloma, A. J Agric Food Chem (2005) 53, 5200-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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 (CH2) | 41.6 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.3 |
| 4 (C) | 34.4 |
| 5 (CH) | 58.1 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 36 |
| 8 (C) | 136.4 |
| 9 (C) | 120.3 |
| 10 (C) | 71.3 |
| 11 (C) | 142.6 |
| 12 (C) | 140.4 |
| 13 (C) | 132.4 |
| 14 (CH) | 117.5 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 32.2 |
| 19 (CH3) | 22.8 |
| 20 (CH2) | 41.6 |
