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

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

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

Synonyms: 3-[(Z)-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-XFXZXTDPSA-N

Formula: C17H20O4

Molecular Weight: 288.338945

Exact Mass: 288.136159

NMR Solvent: C+C

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) 195.18
2 (CH) 119.23
3 (C) 163.93
4 (CH2) 34.58
5 (CH2) 26.69
6 (CH) 123.22
7 (C) 132.53
8 (CH3) 17.45
9 (CH3) 26.23
10 (CH3) 25.49
1' (C) 119.55
2' (C) 167.55
3' (CH) 118.66
4' (CH) 136.81
5' (C) 119.93
6' (CH) 132.91
5'a (C) 170.7