(6E,10E)-2,6,10-Trimethyl-14-(1,2-dihydroxyethyl)-2,6,10,14-pentadecatetraene-4-one

(6E,10E)-2,6,10-Trimethyl-14-(1,2-dihydroxyethyl)-2,6,10,14-pentadecatetraene-4-one

Common Name: (6E,10E)-2,6,10-Trimethyl-14-(1,2-dihydroxyethyl)-2,6,10,14-pentadecatetraene-4-one

Synonyms: (6E,10E)-2,6,10-Trimethyl-14-(1,2-dihydroxyethyl)-2,6,10,14-pentadecatetraene-4-one

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-15(2)12-19(22)13-17(4)10-6-8-16(3)9-7-11-18(5)20(23)14-21/h9-10,12,20-21,23H,5-8,11,13-14H2,1-4H3/b16-9+,17-10+

InChIKey: InChIKey=WALNBYJTLJXJLX-CZCYGEDCSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ortalo-Magne, A., Culioli, G., Valls, R., Pucci, B., Piovetti, L. Phytochemistry (2005) 66, 2316-23

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) 65.6
2 (CH) 75
3 (C) 148.2
4 (CH2) 32.4
5 (CH2) 26.3
6 (CH) 123.8
7 (C) 135.3
8 (CH2) 39.2
9 (CH2) 26.6
10 (CH) 129
11 (C) 129.5
12 (CH2) 55.3
13 (C) 199.7
14 (CH) 122.8
15 (C) 155.8
16 (CH3) 27.7
17 (CH3) 20.7
18 (CH3) 16.4
19 (CH3) 16
20 (CH2) 110.8