(2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester

(2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester

Common Name: (2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester

Synonyms: (2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-17(2)8-5-10-19(21(23)25-3)12-7-13-20(22(24)26-4)11-6-9-18-14-15-27-16-18/h8,11-12,14-16H,5-7,9-10,13H2,1-4H3/b19-12+,20-11+

InChIKey: InChIKey=RHYBSUZKHZEFTF-PFTXGBMHSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Galal, A.M., Abdel-Sattar, E., El-Feraly, F.S., Mossa, J.S., Meselhy, M.R., Kadota, S., Namba, T. Phytochemistry (1998) 48, 159-63

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) 142.9
2 (CH) 110.7
3 (C) 123.8
4 (CH2) 24
5 (CH2) 29.2
6 (CH) 142.5
7 (C) 132.1
8 (CH2) 26
9 (CH2) 26.9
10 (CH) 141.4
11 (C) 132.5
12 (CH2) 28
13 (CH2) 27.7
14 (CH) 123.6
15 (C) 131.5
16 (CH3) 25.6
17 (CH3) 14.1
18 (C) 168.2
19 (C) 167.8
20 (CH) 139.9
18a (CH3) 51.6
19a (CH3) 51.5