(2E,10E,13R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,13-triol

(2E,10E,13R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,13-triol

Common Name: (2E,10E,13R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,13-triol

Synonyms: (2E,10E,13R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,13-triol

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-15(2)13-19(22)14-17(4)7-6-8-18(5)20(23)10-9-16(3)11-12-21/h7,11,13,19-23H,5-6,8-10,12,14H2,1-4H3/b16-11+,17-7+/t19-,20?/m0/s1

InChIKey: InChIKey=DMYRJIPUYNBFRS-IYXDNUOGSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

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) 59.3
2 (CH) 123.6
3 (C) 139.4
4 (CH2) 35.6
5 (CH2) 33.4
6 (CH) 74.8
7 (C) 151.4
8 (CH2) 31
9 (CH2) 26.5
10 (CH) 127.4
11 (C) 132.1
12 (CH2) 48.1
13 (CH) 65.7
14 (CH) 128
15 (C) 135
16 (CH3) 25.8
17 (CH3) 18.2
18 (CH3) 16.3
19 (CH2) 110.1
20 (CH3) 16.2