Tetramethylsqualene

Tetramethylsqualene

Common Name: Tetramethylsqualene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H58/c1-25(2)29(7)21-23-33(11)31(9)19-17-27(5)15-13-14-16-28(6)18-20-32(10)34(12)24-22-30(8)26(3)4/h15-16,29-32H,1,3,11-14,17-24H2,2,4-10H3/b27-15+,28-16+

InChIKey: InChIKey=BHEOSNUKNHRBNM-DPCVLPDWSA-N

Formula: C34H58

Molecular Weight: 466.825584

Exact Mass: 466.453852

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Achitouv, E., Metzger, P., Rager, M.N., Largeau, C. Phytochemistry (2004) 65, 3159-65

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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) 109.6
2 (C) 150.1
3 (CH) 41.1
4 (CH2) 33.5
5 (CH2) 31.7
6 (C) 155
7 (CH) 39.7
8 (CH2) 34
9 (CH2) 37.6
10 (C) 135.5
11 (CH) 124.2
12 (CH2) 28.4
13 (CH2) 28.4
14 (CH) 124.2
15 (C) 135.5
16 (CH2) 37.6
17 (CH2) 34
18 (CH) 39.7
19 (C) 155
20 (CH2) 31.7
21 (CH2) 33.5
22 (CH) 41.1
23 (C) 150.1
24 (CH2) 109.6
25 (CH3) 19
26 (CH2) 107.4
27 (CH3) 16.1
28 (CH3) 16.1
29 (CH2) 107.4
30 (CH3) 19
3a (CH3) 19.9
7a (CH3) 20.3
18a (CH3) 20.3
22a (CH3) 19.9