Acetic acid 1-methyl-3-(2,2,6-trimethyl-7-oxa-bicyclo-[4.1.0]hept-1-yl)-1-vinyl-allyl ester

Acetic acid 1-methyl-3-(2,2,6-trimethyl-7-oxa-bicyclo-[4.1.0]hept-1-yl)-1-vinyl-allyl ester

Common Name: Acetic acid 1-methyl-3-(2,2,6-trimethyl-7-oxa-bicyclo-[4.1.0]hept-1-yl)-1-vinyl-allyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H26O3/c1-7-15(5,19-13(2)18)11-12-17-14(3,4)9-8-10-16(17,6)20-17/h7,11-12H,1,8-10H2,2-6H3/b12-11-/t15?,16-,17+/m1/s1

InChIKey: InChIKey=SKWFLUMWSWSGSJ-LEUYWHEQSA-N

Formula: C17H26O3

Molecular Weight: 278.387185

Exact Mass: 278.188195

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Topcu, G., Aydogmus, Z., Imre, S., Goren, A.C., Pezzuto, J.M., Clement, J.A., Kingston, D.G. J Nat Prod (2003) 66, 1505-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cyclofarnesanes; 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) 30.2
2 (CH2) 25.8
3 (CH2) 35
4 (C) 40
5 (C) 58.2
6 (C) 62.3
7 (CH) 136.9
8 (CH) 125.8
9 (C) 74.4
10 (CH) 144.2
11 (CH2) 112.6
12 (CH3) 28.1
13 (CH3) 16.5
14 (CH3) 26.3
15 (CH3) 29.7
9a (C) 171.6
9b (CH3) 23.9