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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C17H30O6/c1-11(2)7-6-8-16(5,21)17(22)10-9-15(4,20)13(19)14(17)23-12(3)18/h7,13-14,19-22H,6,8-10H2,1-5H3/t13-,14-,15-,16-,17-/m0/s1

InChIKey: InChIKey=KNFIGEXUOBWKSE-WOYTXXSLSA-N

Formula: C17H30O6

Molecular Weight: 330.417162

Exact Mass: 330.204239

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) 87.2
2 (CH) 79.3
3 (C) 72.2
4 (CH2) 39.1
5 (CH2) 28.3
6 (C) 76.5
7 (C) 71.9
8 (CH2) 27.9
9 (CH2) 21.1
10 (CH) 124.9
11 (C) 131.5
12 (CH3) 17.6
13 (CH3) 25.7
14 (CH3) 22.4
15 (CH3) 23
1a (C) 172.6
1b (CH3) 21.2