3-[(E)-1-Oxo-3,7-dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid

3-[(E)-1-Oxo-3,7-dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid

Common Name: 3-[(E)-1-Oxo-3,7-dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid

Synonyms: 3-[(E)-1-Oxo-3,7-dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid

CAS Registry Number:

InChI: InChI=1S/C17H20O4/c1-11(2)5-4-6-12(3)9-16(19)14-10-13(17(20)21)7-8-15(14)18/h5,7-10,18H,4,6H2,1-3H3,(H,20,21)/b12-9+

InChIKey: InChIKey=MPPGIWBJWPIEDY-FMIVXFBMSA-N

Formula: C17H20O4

Molecular Weight: 288.338945

Exact Mass: 288.136159

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Moreira, D.D., Guimaraes, E.F., Kaplan, M.A.C. Phytochemistry (1998) 49, 1339-42

Species:

Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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 (C) 195.45
2 (CH) 118.47
3 (C) 163.76
4 (CH2) 41.75
5 (CH2) 26
6 (CH) 122.55
7 (C) 132
8 (CH3) 25.48
9 (CH3) 17.6
10 (CH3) 20.2
1' (C) 119.44
2' (C) 167.55
3' (CH) 118.64
4' (CH) 136.81
5' (C) 119.93
6' (CH) 132.8
5'a (C) 171.07