3,7,11,15-Tetramethyl-n-hexadecan-3a-ol-1-yl-benzoate

3,7,11,15-Tetramethyl-n-hexadecan-3a-ol-1-yl-benzoate

Common Name: 3,7,11,15-Tetramethyl-n-hexadecan-3a-ol-1-yl-benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H46O4/c1-21(2)11-9-13-23(4)25(28)17-16-22(3)12-10-18-27(5,30)19-20-31-26(29)24-14-7-6-8-15-24/h6-8,14-15,21-23,25,28,30H,9-13,16-20H2,1-5H3/t22-,23+,25+,27-/m1/s1

InChIKey: InChIKey=AAKKZQVFPBAUJV-LNIWHUFPSA-N

Formula: C27H46O4

Molecular Weight: 434.652764

Exact Mass: 434.33961

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chung, I.M., Ali, M., Hahn, S.J., Siddiqui, N.A., Lim, Y.H., Ahmad, A. Chem Nat Compd (2005) 41, 182-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) 65.55
2 (CH2) 35.79
3 (C) 67.43
4 (CH2) 34.44
5 (CH2) 33.17
6 (CH2) 32.42
7 (CH) 40.87
8 (CH2) 30.76
9 (CH2) 30.56
10 (CH) 29.81
11 (CH) 39.92
12 (CH2) 27.95
13 (CH2) 27.25
14 (CH2) 24.18
15 (CH) 37.49
16 (CH3) 19.68
17 (CH3) 20.15
18 (CH3) 11.88
19 (CH3) 14.86
20 (CH3) 12.66
1' (C) 169.45
2' (C) 133.72
3' (CH) 132.49
4' (CH) 130.03
5' (CH) 132.17
6' (CH) 130.03
7' (CH) 132.49