Spektraris NMR
(1R)-1beta,8abeta-Dimethyl-6-oxo-7-acetyl-7alpha,8alpha-epoxy-1,2,3,4,6,7,8,8a-octahydronaphthalene-2beta-ol acetate
Common Name: (1R)-1beta,8abeta-Dimethyl-6-oxo-7-acetyl-7alpha,8alpha-epoxy-1,2,3,4,6,7,8,8a-octahydronaphthalene-2beta-ol acetate
Synonyms: (1R)-1beta,8abeta-Dimethyl-6-oxo-7-acetyl-7alpha,8alpha-epoxy-1,2,3,4,6,7,8,8a-octahydronaphthalene-2beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C16H20O5/c1-8-12(20-10(3)18)6-5-11-7-13(19)16(9(2)17)14(21-16)15(8,11)4/h7-8,12,14H,5-6H2,1-4H3/t8-,12-,14+,15+,16-/m0/s1
InChIKey: InChIKey=IIKXPKBPGMPATO-VXEJCKRLSA-N
Formula: C16H20O5
Molecular Weight: 292.327614
Exact Mass: 292.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, W.X., Lei, M., Fei, D.Q., Gao, K. Planta Med (2009) 75, 635-40
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 28 |
| 2 (CH2) | 30.8 |
| 3 (CH) | 73.3 |
| 4 (CH) | 39.8 |
| 5 (C) | 40.9 |
| 6 (CH) | 66 |
| 7 (C) | 63.5 |
| 8 (C) | 190.1 |
| 9 (CH) | 121 |
| 10 (C) | 164.9 |
| 11 (C) | 200.9 |
| 13 (CH3) | 28 |
| 14 (CH3) | 20.2 |
| 15 (CH3) | 12.1 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.2 |
