Spektraris NMR
7beta,8alpha-Dihydroxy-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
Common Name: 7beta,8alpha-Dihydroxy-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
Synonyms: 7beta,8alpha-Dihydroxy-3beta-isopropyl-8aalpha-methyl-1,2,3,3abeta,6,7,8,8a-octahydroazulene-5-methanol
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-9(2)11-4-5-15(3)12(11)6-10(8-16)7-13(17)14(15)18/h6,9,11-14,16-18H,4-5,7-8H2,1-3H3/t11-,12-,13+,14-,15-/m0/s1
InChIKey: InChIKey=CVYLVSBETDOPNJ-RMEBNNNOSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CDCl3
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) | 49.3 |
| 2 (CH2) | 40 |
| 3 (CH2) | 24.8 |
| 4 (CH) | 50.3 |
| 5 (CH) | 48.8 |
| 6 (CH) | 132.1 |
| 7 (C) | 137.7 |
| 8 (CH2) | 35.6 |
| 9 (CH) | 69.5 |
| 10 (CH) | 87.7 |
| 11 (CH) | 32.1 |
| 12 (CH3) | 21.9 |
| 13 (CH3) | 19.2 |
| 14 (CH2) | 67.8 |
| 15 (CH3) | 14.8 |
