[(1S)-1beta,4-Dimethyl-7-isopropyl-1,2,3,3abeta,4,5,6,8aalpha-octahydroazulene-4beta-yl] isocyanide

[(1S)-1beta,4-Dimethyl-7-isopropyl-1,2,3,3abeta,4,5,6,8aalpha-octahydroazulene-4beta-yl] isocyanide

Common Name: [(1S)-1beta,4-Dimethyl-7-isopropyl-1,2,3,3abeta,4,5,6,8aalpha-octahydroazulene-4beta-yl] isocyanide

Synonyms: [(1S)-1beta,4-Dimethyl-7-isopropyl-1,2,3,3abeta,4,5,6,8aalpha-octahydroazulene-4beta-yl] isocyanide

CAS Registry Number:

InChI: InChI=1S/C16H25N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)14(15)10-13/h10-12,14-15H,6-9H2,1-4H3/t12-,14-,15-,16-/m0/s1

InChIKey: InChIKey=LMXAELZMLANKHX-TUUVXOQKSA-N

Formula: C16H26N1

Molecular Weight: 232.384977

Exact Mass: 232.206525

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Manzo, E., Ciavatta, M.L., Gavagnin, M., Mollo, E., Guo, Y.W., Cimino, G. J Nat Prod (2004) 67, 1701-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 50
2 (CH2) 25
3 (CH2) 3.6
4 (CH) 37.8
5 (CH) 42.4
6 (CH) 123.8
7 (C) 147.8
8 (CH2) 24.7
9 (CH2) 41.6
10 (C) 62.6
11 (CH) 37.1
12 (CH3) 21.6
13 (CH3) 21.2
14 (CH3) 15.3
15 (CH3) 20.4