4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl)ethyl]furan-2(5H)-one

4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl)ethyl]furan-2(5H)-one

Common Name: 4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl)ethyl]furan-2(5H)-one

Synonyms: 4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl)ethyl]furan-2(5H)-one

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-14-7-8-16-17(6-5-10-19(16,2)3)20(14,4)11-9-15-12-18(21)22-13-15/h6,12,14,16H,5,7-11,13H2,1-4H3/t14-,16+,20+/m1/s1

InChIKey: InChIKey=UPYCZJSGFYRBFV-IIMJZQEZSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 121
2 (CH2) 23.7
3 (CH2) 33.1
4 (C) 31.4
5 (CH) 43.7
6 (CH2) 23.6
7 (CH2) 29
8 (CH) 39.1
9 (C) 43
10 (C) 140.6
11 (CH2) 36.3
12 (CH2) 23.6
13 (C) 171.6
14 (CH) 114.9
15 (C) 174.1
16 (CH2) 73.1
17 (CH3) 15.6
18 (CH3) 28.2
19 (CH3) 25.9
20 (CH3) 22.2