trans-4-[(2E,4E)-6,10-Dimethyl-2,4,9-undecatrien-2-yl]cyclohexanecarboxylic acid

trans-4-[(2E,4E)-6,10-Dimethyl-2,4,9-undecatrien-2-yl]cyclohexanecarboxylic acid

Common Name: trans-4-[(2E,4E)-6,10-Dimethyl-2,4,9-undecatrien-2-yl]cyclohexanecarboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)18-11-13-19(14-12-18)20(21)22/h6-7,9-10,16,18-19H,5,8,11-14H2,1-4H3,(H,21,22)/b9-6+,17-10+/t16?,18-,19-

InChIKey: InChIKey=GMAZESCNIHSLSB-RMRWVHFPSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jang, K.H., Jeon, J.E., Ryu, S., Lee, H.S., Oh, K.B., Shin, J. J Nat Prod (2008) 71, 1701-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylbisabolanes; 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) 30.7
2 (CH2) 29.1
3 (CH) 43
4 (CH2) 29.1
5 (CH2) 30.7
6 (CH) 46.5
7 (C) 140.4
8 (CH) 123.6
9 (CH) 125.1
10 (CH) 139.2
11 (CH) 36.9
12 (CH2) 37.4
13 (CH2) 26.1
14 (CH) 124.9
15 (C) 131.5
16 (CH3) 26
17 (CH3) 17.9
18 (CH3) 20.9
19 (CH3) 15.2
20 (C) 181.8