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)
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 |