(5Z,10E)-12-(2,5-Dihydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-5,10-diene-4-one

(5Z,10E)-12-(2,5-Dihydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-5,10-diene-4-one

Common Name: (5Z,10E)-12-(2,5-Dihydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-5,10-diene-4-one

Synonyms: (5Z,10E)-12-(2,5-Dihydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-5,10-diene-4-one

CAS Registry Number:

InChI: InChI=1S/C22H32O3/c1-15(2)11-20(23)12-17(4)8-6-7-16(3)9-10-19-14-21(24)18(5)13-22(19)25/h9,12-15,24-25H,6-8,10-11H2,1-5H3/b16-9+,17-12-

InChIKey: InChIKey=DVGKTVSWDFQFIK-QYAHGZNPSA-N

Formula: C22H32O3

Molecular Weight: 344.488509

Exact Mass: 344.235145

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) 27.5
2 (CH) 122.4
3 (C) 137.3
4 (CH2) 39.8
5 (CH2) 25.4
6 (CH2) 33.1
7 (C) 161
8 (CH) 123.9
9 (C) 202.8
10 (CH2) 53.7
11 (CH) 25.7
12 (CH3) 22.6
13 (CH3) 22.6
14 (CH3) 25.2
15 (CH3) 15.8
1' (C) 148.8
2' (C) 124.8
3' (CH) 115.4
4' (C) 146.4
5' (C) 122.3
6' (CH) 117.7
7' (CH3) 15.5