Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester

Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester

Common Name: Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester

Synonyms: Bis(2-methylpropionic acid)2-(2-hydroxy-4-methylphenyl)-1-propene-1,3-diyl ester

CAS Registry Number:

InChI: InChI=1S/C18H24O5/c1-11(2)17(20)22-9-14(10-23-18(21)12(3)4)15-7-6-13(5)8-16(15)19/h6-9,11-12,19H,10H2,1-5H3/b14-9-

InChIKey: InChIKey=JHPNYTLPIGZXRG-ZROIWOOFSA-N

Formula: C18H24O5

Molecular Weight: 320.380849

Exact Mass: 320.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, B.N., Takaishi, Y., Yabuuchi, T., Kusumi, T., Tori, M., Takaoka, S., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2001) 64, 466-71

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) 140.1
2 (CH) 116.8
3 (C) 154.2
4 (C) 119.4
5 (CH) 130.5
6 (CH) 121.3
7 (CH3) 21.2
8 (C) 117.8
9 (CH) 137.6
10 (CH2) 61.1
9a (C) 173.5
9b (CH) 34
9c (CH3) 18.8
9ba (CH3) 18.8
10a (C) 177.2
10b (CH) 34
10c (CH3) 18.9
10ba (CH3) 18.9