(-)-α-Macrocarpene, (1’S)-3,3,40-trimethyl-1, 1’-bi(cyclohexane)-1,3’-diene

(-)-α-Macrocarpene, (1’S)-3,3,40-trimethyl-1, 1’-bi(cyclohexane)-1,3’-diene

Common Name: (-)-α-Macrocarpene, (1’S)-3,3,40-trimethyl-1, 1’-bi(cyclohexane)-1,3’-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6,11,13H,4-5,7-10H2,1-3H3/t13-/m1/s1

InChIKey: InChIKey=DWOIVXBDBJQILB-CYBMUJFWSA-N

Formula: C15H24

Molecular Weight: 204.351617

Exact Mass: 204.187801

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cool, L.G. Phytochemistry (2005) 66, 249-60

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Macrocarpanes; 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) 41.1
2 (CH2) 27.9
3 (CH2) 30.7
4 (C) 133.7
5 (CH) 121
6 (CH2) 30.9
7 (C) 139.4
8 (CH) 130.1
9 (C) 31.4
10 (CH2) 37.5
11 (CH2) 20.2
12 (CH2) 26.6
13 (CH3) 30.3
14 (CH3) 30.4
15 (CH3) 23.5