Spektraris NMR
7beta,8alpha-(Isopropylidenedioxy)-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
Common Name: 7beta,8alpha-(Isopropylidenedioxy)-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
Synonyms: 7beta,8alpha-(Isopropylidenedioxy)-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
CAS Registry Number:
InChI: InChI=1S/C18H30O3/c1-11(2)13-6-7-18(5)14(13)8-12(10-19)9-15-16(18)21-17(3,4)20-15/h8,11,13-16,19H,6-7,9-10H2,1-5H3/t13-,14-,15+,16-,18-/m0/s1
InChIKey: InChIKey=NRNQVCNAWNDYOT-RPUYLAQPSA-N
Formula: C18H30O3
Molecular Weight: 294.429684
Exact Mass: 294.219495
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - García, A., Delgado, G. Helv Chim Acta (2006) 89, 16-29
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isodaucanes; 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 (C) | 46.4 |
| 2 (CH2) | 38.8 |
| 3 (CH2) | 24.8 |
| 4 (CH) | 49.3 |
| 5 (CH) | 49.4 |
| 6 (CH) | 129.7 |
| 7 (C) | 137.8 |
| 8 (CH2) | 30.7 |
| 9 (CH) | 72.5 |
| 10 (CH) | 92.8 |
| 11 (CH) | 31.3 |
| 12 (CH3) | 18.5 |
| 13 (CH3) | 22.1 |
| 14 (CH2) | 67.8 |
| 15 (CH3) | 14.1 |
| 1' (C) | 106.8 |
| 2' (CH3) | 27.5 |
| 3' (CH3) | 27.1 |
