(2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-12-hydroxy-2,6,10,14-hexadecatetraenal

(2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-12-hydroxy-2,6,10,14-hexadecatetraenal

Common Name: (2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-12-hydroxy-2,6,10,14-hexadecatetraenal

Synonyms: (2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-12-hydroxy-2,6,10,14-hexadecatetraenal

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h9-10,12,14-15,22,25H,6-8,11,13,16H2,1-5H3/b18-14+,19-9+,21-10-/t22-/m1/s1

InChIKey: InChIKey=ZOXDAANNUDSSLU-ORMYALOKSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gao, X., Zhang, Z.X., Jia, Z.J. Helv Chim Acta (2008) 91, 1934-9

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 (CH) 191.4
2 (CH) 127.8
3 (C) 163
4 (CH2) 40.6
5 (CH2) 26.1
6 (CH) 129.1
7 (C) 135.2
8 (CH2) 35.1
9 (CH2) 25.5
10 (CH) 125.3
11 (C) 137.6
12 (CH) 77.2
13 (CH2) 34.5
14 (CH) 120.4
15 (C) 134.7
16 (CH3) 25.5
17 (CH3) 18.2
18 (CH3) 12
19 (CH2) 61.8
20 (CH3) 17.7
19a (C) 171.2
19b (CH3) 21.1