Spektraris NMR
(8aS)-5,5,8abeta-Trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-one
Common Name: (8aS)-5,5,8abeta-Trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-one
Synonyms: (8aS)-5,5,8abeta-Trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-one
CAS Registry Number:
InChI: InChI=1S/C13H20O/c1-12(2)8-5-9-13(3)10(12)6-4-7-11(13)14/h6H,4-5,7-9H2,1-3H3/t13-/m0/s1
InChIKey: InChIKey=UMXLOZGDJUJAHK-ZDUSSCGKSA-N
Formula: C13H20O1
Molecular Weight: 192.297787
Exact Mass: 192.151415
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hatzellis, K., Pagona, G., Spyros, A., Demetzos, C., Katerinopoulos, H.E. J Nat Prod (2004) 67, 1996-2001
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 34.21 |
| 2 (CH2) | 18.33 |
| 3 (CH2) | 41.06 |
| 4 (C) | 36.52 |
| 5 (C) | 149.67 |
| 6 (CH) | 119.19 |
| 7 (CH2) | 22.56 |
| 8 (CH2) | 35.61 |
| 9 (C) | 216.44 |
| 10 (C) | 48.18 |
| 13 (CH3) | 32.7 |
| 14 (CH3) | 25.23 |
| 15 (CH3) | 30.59 |
