(5Z,10E)-2,6,10-Trimethyl-12-(2-acetoxy-5-hydroxy-4-methylphenyl)-5,10-dodecadiene-4-one

(5Z,10E)-2,6,10-Trimethyl-12-(2-acetoxy-5-hydroxy-4-methylphenyl)-5,10-dodecadiene-4-one

Common Name: (5Z,10E)-2,6,10-Trimethyl-12-(2-acetoxy-5-hydroxy-4-methylphenyl)-5,10-dodecadiene-4-one

Synonyms: (5Z,10E)-2,6,10-Trimethyl-12-(2-acetoxy-5-hydroxy-4-methylphenyl)-5,10-dodecadiene-4-one

CAS Registry Number:

InChI: InChI=1S/C24H34O4/c1-16(2)12-22(26)13-18(4)9-7-8-17(3)10-11-21-15-23(27)19(5)14-24(21)28-20(6)25/h10,13-16,27H,7-9,11-12H2,1-6H3/b17-10+,18-13-

InChIKey: InChIKey=ABJRGWIGTXMLIB-BHOLAXHDSA-N

Formula: C24H34O4

Molecular Weight: 386.525267

Exact Mass: 386.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) 27
2 (CH) 122.3
3 (C) 137.4
4 (CH2) 39.9
5 (CH2) 25.1
6 (CH2) 33
7 (C) 161.7
8 (CH) 123.8
9 (C) 203.6
10 (CH2) 53.8
11 (CH) 25.9
12 (CH3) 22.6
13 (CH3) 22.6
14 (CH3) 25.1
15 (CH3) 15.7
1' (C) 141.1
2' (C) 130.4
3' (CH) 115.1
4' (C) 153.3
5' (C) 122.7
6' (CH) 123.5
7' (CH3) 15.6
1'a (C) 170
1'b (CH3) 20.8