3-Methylbutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester

3-Methylbutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester

Common Name: 3-Methylbutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester

Synonyms: 3-Methylbutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester

CAS Registry Number:

InChI: InChI=1S/C19H26O5/c1-7-15(23-18(20)10-12(2)3)14-8-9-16(17(11-14)22-6)24-19(21)13(4)5/h7-9,11-13,15H,1,10H2,2-6H3

InChIKey: InChIKey=ZMQPXMBRSIEPJQ-UHFFFAOYSA-N

Formula: C19H26O5

Molecular Weight: 334.407466

Exact Mass: 334.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mata, R., Rivero-Cruz, I., Rivero-Cruz, B., Bye, R., Timmermann, B.N. J Nat Prod (2002) 65, 1030-2

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) 137.7
2 (CH) 111.5
3 (C) 151.2
4 (C) 139.8
5 (CH) 122.7
6 (CH) 119.6
7 (CH) 75.4
8 (CH) 136.2
9 (CH2) 117
3a (CH3) 55.9
4a (C) 175.2
4b (CH) 34
4c (CH3) 19
4d (CH3) 19
7a (C) 172
7b (CH2) 43.6
7c (CH) 25.8
7d (CH3) 22.4
7e (CH3) 22.4