3,7,11-Trimethyl-n-hexadecan-10b-ol-1-yl-benzoate

3,7,11-Trimethyl-n-hexadecan-10b-ol-1-yl-benzoate

Common Name: 3,7,11-Trimethyl-n-hexadecan-10b-ol-1-yl-benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H44O3/c1-5-6-8-14-23(4)25(27)18-17-21(2)12-11-13-22(3)19-20-29-26(28)24-15-9-7-10-16-24/h7,9-10,15-16,21-23,25,27H,5-6,8,11-14,17-20H2,1-4H3/t21-,22+,23+,25+/m1/s1

InChIKey: InChIKey=KWMDECCDBHDQSM-FVEXOFTDSA-N

Formula: C26H44O3

Molecular Weight: 404.626741

Exact Mass: 404.329045

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) 66.8
2 (CH2) 30.41
3 (CH) 32.64
4 (CH2) 30.37
5 (CH2) 29.98
6 (CH2) 27.47
7 (CH) 37.31
8 (CH2) 26.82
9 (CH2) 26.61
10 (CH) 76.02
11 (CH) 52.82
12 (CH2) 27.42
13 (CH2) 23.66
14 (CH2) 20
15 (CH2) 23.35
16 (CH3) 11.75
18 (CH3) 14.45
19 (CH3) 12.54
20 (CH3) 19.6
1' (C) 169.02
2' (C) 132.96
3' (CH) 129.56
4' (CH) 131.93
5' (CH) 131.93
6' (CH) 131.93
7' (CH) 129.56