Spektraris NMR
(2R)-3,8-Dimethyl-5beta-isopropyl-1,2,4abeta,5,6,8abeta-hexahydronaphthalene-2beta-ol acetate
Common Name: (2R)-3,8-Dimethyl-5beta-isopropyl-1,2,4abeta,5,6,8abeta-hexahydronaphthalene-2beta-ol acetate
Synonyms: (2R)-3,8-Dimethyl-5beta-isopropyl-1,2,4abeta,5,6,8abeta-hexahydronaphthalene-2beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-10(2)14-7-6-11(3)15-9-17(19-13(5)18)12(4)8-16(14)15/h6,8,10,14-17H,7,9H2,1-5H3/t14-,15+,16-,17-/m1/s1
InChIKey: InChIKey=FQGGURIZYRSKFD-YYIAUSFCSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Affeld, S., Kehraus, S., W◊ßgele, H., K◊nig, G.M. J Nat Prod (2009) 72, 298-300
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 35.8 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 71.7 |
| 4 (C) | 132.9 |
| 5 (CH) | 132 |
| 6 (CH) | 38.1 |
| 7 (CH) | 41.1 |
| 8 (CH2) | 25.4 |
| 9 (CH) | 123.1 |
| 10 (C) | 136.1 |
| 11 (CH) | 28.2 |
| 12 (CH3) | 21.6 |
| 13 (CH3) | 16.5 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 21.5 |
| 16 (C) | 172.8 |
| 17 (CH3) | 21.2 |
