Spektraris NMR
(1S,8abeta)-2beta-Isopropyl-4aalpha-methyl-8-methylenedecalin-1beta,5alpha-diol
Common Name: (1S,8abeta)-2beta-Isopropyl-4aalpha-methyl-8-methylenedecalin-1beta,5alpha-diol
Synonyms: (1S,8abeta)-2beta-Isopropyl-4aalpha-methyl-8-methylenedecalin-1beta,5alpha-diol
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey: InChIKey=WKKJGHCXVKEJNU-ZSAUSMIDSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamel, A. J Nat Prod (1995) 58, 428-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 79.3 |
| 2 (CH2) | 32.1 |
| 3 (CH2) | 35.3 |
| 4 (C) | 146.1 |
| 5 (CH) | 50.3 |
| 6 (CH) | 69.9 |
| 7 (CH) | 44.5 |
| 8 (CH2) | 22.3 |
| 9 (CH2) | 32.2 |
| 10 (C) | 41.7 |
| 11 (CH) | 25.2 |
| 12 (CH3) | 22.2 |
| 13 (CH3) | 25 |
| 14 (CH3) | 12.1 |
| 15 (CH2) | 108.1 |
