(2E,6E)-2-(4-Methylpent-3-enyl)-6-(3-(2-oxo-2,5-dihydrofuran-3-yl)propyli-dene)hept-2-enedioic acid

(2E,6E)-2-(4-Methylpent-3-enyl)-6-(3-(2-oxo-2,5-dihydrofuran-3-yl)propyli-dene)hept-2-enedioic acid

Common Name: (2E,6E)-2-(4-Methylpent-3-enyl)-6-(3-(2-oxo-2,5-dihydrofuran-3-yl)propyli-dene)hept-2-enedioic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-16(2)8-5-9-17(20(23)26-3)10-6-11-18(21(24)27-4)12-7-13-19-14-15-28-22(19)25/h8,10,12,14H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12+

InChIKey: InChIKey=UAYQOBCQBMMRFO-VZRGJMDUSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

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 (CH2) 70.1
2 (CH) 145
3 (C) 133
4 (CH2) 25.6
5 (CH2) 29.3
6 (CH) 141.4
7 (C) 132.3
8 (CH2) 26.5
9 (CH2) 26.9
10 (CH) 141.2
11 (C) 132.6
12 (CH2) 27.9
13 (CH2) 27.7
14 (CH) 123.5
15 (C) 132.2
16 (CH3) 24.6
17 (CH3) 17.6
18 (C) 168.3
19 (C) 167.6
20 (C) 173.8
18a (CH3) 51.8
19a (CH3) 51.6