(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyl-2-(4-oxopentyl)cyclohexanone

(2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyl-2-(4-oxopentyl)cyclohexanone

Common Name: (2S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyl-2-(4-oxopentyl)cyclohexanone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O3/c1-11(16)6-5-8-15(4)9-7-12(10-13(15)17)14(2,3)18/h12,18H,5-10H2,1-4H3/t12-,15+/m1/s1

InChIKey: InChIKey=IQKFJIADNDSMNL-DOMZBBRYSA-N

Formula: C15H26O3

Molecular Weight: 254.365713

Exact Mass: 254.188195

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Arteaga, P., Quilez, J.F., Rodriguez, I., Herrador, M.M. J Nat Prod (1997) 60, 1026-30

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 18
2 (CH2) 36.9
3 (CH2) 43.6
4 (C) 208.3
5 (C) 215.8
6 (CH2) 39.9
7 (CH) 50.1
8 (CH2) 21.6
9 (CH2) 38.4
10 (C) 47.9
11 (C) 72
12 (CH3) 27.5
13 (CH3) 27.2
14 (CH3) 21.8
15 (CH3) 29.9