(1S,2S,3S,4S)-1-[(S)-1,5-Dimethyl-1-hydroxy-4-hexenyl]-4-methylcyclohexane-1,2,3,4-tetrol

(1S,2S,3S,4S)-1-[(S)-1,5-Dimethyl-1-hydroxy-4-hexenyl]-4-methylcyclohexane-1,2,3,4-tetrol

Common Name: (1S,2S,3S,4S)-1-[(S)-1,5-Dimethyl-1-hydroxy-4-hexenyl]-4-methylcyclohexane-1,2,3,4-tetrol

Synonyms: (1S,2S,3S,4S)-1-[(S)-1,5-Dimethyl-1-hydroxy-4-hexenyl]-4-methylcyclohexane-1,2,3,4-tetrol

CAS Registry Number:

InChI: InChI=1S/C15H28O5/c1-10(2)6-5-7-14(4,19)15(20)9-8-13(3,18)11(16)12(15)17/h6,11-12,16-20H,5,7-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1

InChIKey: InChIKey=NHBJWMZRJYBAPG-YTFOTSKYSA-N

Formula: C15H28O5

Molecular Weight: 288.380404

Exact Mass: 288.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., Abou Elela, M. Phytochemistry (1999) 51, 551-4

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 (CH) 82.6
2 (CH) 80.7
3 (C) 72.9
4 (CH2) 39.1
5 (CH2) 28.3
6 (C) 76.8
7 (C) 72.2
8 (CH2) 27.4
9 (CH2) 22.3
10 (CH) 125
11 (C) 131.5
12 (CH3) 17.6
13 (CH3) 25.7
14 (CH3) 22.7
15 (CH3) 22.9