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: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2009) 92, 357-61
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) | 29.1 |
| 2 (CH2) | 32 |
| 3 (CH) | 75 |
| 4 (CH) | 41.4 |
| 5 (C) | 42.4 |
| 6 (CH) | 67.2 |
| 7 (C) | 65.1 |
| 8 (C) | 192.1 |
| 9 (CH) | 121.6 |
| 10 (C) | 168.2 |
| 11 (C) | 203.2 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 12.5 |
| 3a (C) | 172.3 |
| 3b (CH3) | 21.2 |
