2Z-Phytene-1,15,20-triol

2Z-Phytene-1,15,20-triol

Common Name: 2Z-Phytene-1,15,20-triol

Synonyms: 2Z-Phytene-1,15,20-triol

CAS Registry Number:

InChI: InChI=1S/C20H40O3/c1-17(10-6-12-19(16-22)13-15-21)8-5-9-18(2)11-7-14-20(3,4)23/h13,17-18,21-23H,5-12,14-16H2,1-4H3/b19-13-

InChIKey: InChIKey=AKXRSPSASWQOHJ-UYRXBGFRSA-N

Formula: C20H40O3

Molecular Weight: 328.530563

Exact Mass: 328.297745

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Feld, H., Zapp, J., Becker, H. Phytochemistry (2003) 64, 1335-40

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) 58.6
2 (CH) 126.3
3 (C) 144.1
4 (CH2) 36.1
5 (CH2) 25.5
6 (CH2) 36.6
7 (CH) 32.6
8 (CH2) 37.1
9 (CH2) 24.3
10 (CH2) 37.2
11 (CH) 32.7
12 (CH2) 37.4
13 (CH2) 21.7
14 (CH2) 44.2
15 (C) 71.2
16 (CH3) 29.2
17 (CH3) 29.2
18 (CH3) 19.8
19 (CH3) 19.8
20 (CH2) 60.9