3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

Common Name: 3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

Synonyms: 3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C14H20O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-9,11H,4-7H2,1-3H3/t9-,11+,14+/m0/s1

InChIKey: InChIKey=XNORMQKITMTNGH-DRCTWCGVSA-N

Formula: C14H20O2

Molecular Weight: 220.307927

Exact Mass: 220.14633

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Goto, Y., Kojima, Y., Nakayama, T., Terazawa, M. Phytochemistry (2001) 57, 103-13

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) 26.9
2 (CH2) 20.3
3 (CH2) 30.2
4 (CH) 35.6
5 (C) 39.7
6 (CH) 166.7
7 (C) 137
8 (C) 197.8
9 (CH2) 40.5
10 (CH) 39.5
11 (C) 198.6
13 (CH3) 30.8
14 (CH3) 20.1
15 (CH3) 16