Spektraris NMR
(1R)-1-Methyl-4beta-isopropyl-6-formyl-1,2,3,4,4abeta,7,8,8aalpha-octahydronaphthalene-1alpha-ol acetate
Common Name: (1R)-1-Methyl-4beta-isopropyl-6-formyl-1,2,3,4,4abeta,7,8,8aalpha-octahydronaphthalene-1alpha-ol acetate
Synonyms: (1R)-1-Methyl-4beta-isopropyl-6-formyl-1,2,3,4,4abeta,7,8,8aalpha-octahydronaphthalene-1alpha-ol acetate
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-11(2)14-7-8-17(4,20-12(3)19)16-6-5-13(10-18)9-15(14)16/h9-11,14-16H,5-8H2,1-4H3/t14-,15-,16+,17+/m0/s1
InChIKey: InChIKey=JJGYLHXEVHMANI-MWDXBVQZSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, Y.L. J Nat Prod (2002) 65, 25-8
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) | 47.3 |
| 2 (CH2) | 21.5 |
| 3 (CH2) | 22 |
| 4 (C) | 141.7 |
| 5 (CH) | 151.2 |
| 6 (CH) | 40.6 |
| 7 (CH) | 45.3 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 36.2 |
| 10 (C) | 84.2 |
| 11 (CH) | 26.2 |
| 12 (CH3) | 15.2 |
| 13 (CH3) | 21.3 |
| 14 (CH) | 194.4 |
| 15 (CH3) | 17.4 |
| 10a (C) | 170.5 |
| 10b (CH3) | 22.6 |
