(5S,6S)-6-Acetyl-6-(3,3-diethoxypropyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

(5S,6S)-6-Acetyl-6-(3,3-diethoxypropyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

Common Name: (5S,6S)-6-Acetyl-6-(3,3-diethoxypropyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H28O4/c1-6-15-10-9-13(4)17(20)18(15,14(5)19)12-11-16(21-7-2)22-8-3/h6,9,15-16H,1,7-8,10-12H2,2-5H3/t15-,18-/m1/s1

InChIKey: InChIKey=XXROCXPYWAZFTN-CRAIPNDOSA-N

Formula: C18H28O4

Molecular Weight: 308.413207

Exact Mass: 308.198759

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83

Species:

Notes: Family : Aliphatics, Type : Cyclohexenones; 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) 208.37
2 (C) 134.64
3 (CH) 143.92
4 (CH2) 28.34
5 (CH) 48.31
6 (C) 65.13
1' (CH2) 28.36
2' (CH2) 28.81
3' (CH) 102.58
2a (CH3) 22.5
5a (CH) 144.7
5b (CH2) 115.21
6a (C) 198.04
6b (CH3) 30.34
3'a (CH2) 61.02
3'b (CH3) 15.21
3'c (CH2) 60.62
3'd (CH3) 16.3