(5R)-2alpha-(1-Oxo-2,4-hexadiynyl)-1,6-dioxaspiro[4.5]dec-3-ene

(5R)-2alpha-(1-Oxo-2,4-hexadiynyl)-1,6-dioxaspiro[4.5]dec-3-ene

Common Name: (5R)-2alpha-(1-Oxo-2,4-hexadiynyl)-1,6-dioxaspiro[4.5]dec-3-ene

Synonyms: (5R)-2alpha-(1-Oxo-2,4-hexadiynyl)-1,6-dioxaspiro[4.5]dec-3-ene

CAS Registry Number:

InChI: InChI=1S/C14H14O3/c1-2-3-4-7-12(15)13-8-10-14(17-13)9-5-6-11-16-14/h8,10,13H,5-6,9,11H2,1H3/t13-,14+/m0/s1

InChIKey: InChIKey=ARFTXMBCEBCSGK-UONOGXRCSA-N

Formula: C14H14O3

Molecular Weight: 230.259688

Exact Mass: 230.094294

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36

Species:

Notes: Family : Polyketides, Type : Acetogenins; 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) 64.5
2 (CH2) 24.7
3 (CH2) 19.3
4 (CH2) 32.8
5 (C) 113.1
6 (CH) 138.2
7 (CH) 126.9
8 (CH) 78.9
9 (C) 168.2
10 (C) 80.6
11 (C) 71
12 (C) 79
13 (C) 64.5
14 (CH3) 5