(2R)-2,6,6-Trimethyl-2-[(1S)-4-methyl-3-cyclohexenyl]-2H-pyran-3(6H)-one

(2R)-2,6,6-Trimethyl-2-[(1S)-4-methyl-3-cyclohexenyl]-2H-pyran-3(6H)-one

Common Name: (2R)-2,6,6-Trimethyl-2-[(1S)-4-methyl-3-cyclohexenyl]-2H-pyran-3(6H)-one

Synonyms: (2R)-2,6,6-Trimethyl-2-[(1S)-4-methyl-3-cyclohexenyl]-2H-pyran-3(6H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-11-5-7-12(8-6-11)15(4)13(16)9-10-14(2,3)17-15/h5,9-10,12H,6-8H2,1-4H3/t12-,15-/m1/s1

InChIKey: InChIKey=WIMVWRJFIQGEJA-IUODEOHRSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Brito, I., Dias, T., Diaz-Marrero, A.R., Darias, J., Cueto, M. Tetrahedron (2006) 62, 9655-60

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 25.1
2 (CH) 120.6
3 (C) 133.9
4 (CH2) 30.6
5 (CH2) 24
6 (CH) 41.6
7 (C) 81.9
8 (C) 199.9
9 (CH) 122.8
10 (CH) 154.7
11 (C) 71.2
12 (CH3) 30
13 (CH3) 29.7
14 (CH3) 23.4
15 (CH3) 23.4