(1S,2R,4S)-4-[(1S)-1,5-Dimethyl-4-hexenyl]-1-methylcyclohexane-1,2,4-triol

(1S,2R,4S)-4-[(1S)-1,5-Dimethyl-4-hexenyl]-1-methylcyclohexane-1,2,4-triol

Common Name: (1S,2R,4S)-4-[(1S)-1,5-Dimethyl-4-hexenyl]-1-methylcyclohexane-1,2,4-triol

Synonyms: (1S,2R,4S)-4-[(1S)-1,5-Dimethyl-4-hexenyl]-1-methylcyclohexane-1,2,4-triol

CAS Registry Number:

InChI: InChI=1S/C15H28O3/c1-11(2)6-5-7-12(3)15(18)9-8-14(4,17)13(16)10-15/h6,12-13,16-18H,5,7-10H2,1-4H3/t12-,13+,14-,15-/m0/s1

InChIKey: InChIKey=LPCGSRPICJBRCD-XGUBFFRZSA-N

Formula: C15H28O3

Molecular Weight: 256.381594

Exact Mass: 256.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, M.J., Jayaprakasam, B., Ishikawa, T., Seki, H., Tsai, I.L., Wang, J.J., Chen, I.S. Helv Chim Acta (2002) 85, 1909-14

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) 29.8
2 (CH) 74.9
3 (C) 71.7
4 (CH2) 30.8
5 (CH2) 29.1
6 (C) 75.8
7 (CH) 43.6
8 (CH2) 34
9 (CH2) 26.5
10 (CH) 124.4
11 (C) 131.8
12 (CH3) 17.7
13 (CH3) 25.7
14 (CH3) 13.5
15 (CH3) 27.7