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

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

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

Synonyms: (2Z,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-GGUPLVMRSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Hikawczuk, V.E.J., Saad, J.R., Giordano, O.S., Garcia, C., Martin, T., Martin, V.S., Sosa, M.E., Tonn, C.E. J Nat Prod (2008) 71, 190-4

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) 142.8
2 (CH) 110.7
3 (C) 123.9
4 (CH2) 29
5 (CH2) 24
6 (CH) 142.3
7 (C) 131.7
8 (CH2) 28.9
9 (CH2) 26.4
10 (CH) 140.4
11 (C) 132.1
12 (CH2) 34.6
13 (CH2) 27
14 (CH) 123.3
15 (C) 132.2
16 (CH3) 25.5
17 (CH3) 17.5
18 (C) 168.2
19 (C) 167.9
20 (CH) 138.9
18a (CH3) 51.6
19a (CH3) 51