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LUZODIOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

LUZODIOL
SpectraBase Compound ID Gy17D1bXMBH
InChI InChI=1S/C20H35BrO2/c1-7-18(4,22)13-10-16-19(5,12-8-9-15(2)3)17(21)11-14-20(16,6)23/h7,9,16-17,22-23H,1,8,10-14H2,2-6H3/t16-,17-,18?,19-,20+/m0/s1
InChIKey YQCSNTCEUMEKDO-XIBWBMNSSA-N
Mol Weight 387.4 g/mol
Molecular Formula C20H35BrO2
Exact Mass 386.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNf7BwBJmrp
Name (1R,2S,3S,4S)-4-Bromo-2-(3-hydroxy-3-methyl-pent-4-enyl)-1,3-dimethyl-3-(4-methyl-pent-3-enyl)-cyclohexanol
Alternate Name(s) (1R,2S,3S,4S)-4-bromo-2-(3-hydroxy-3-methyl-4-pentenyl)-1,3-dimethyl-3-(4-methyl-3-pentenyl)cyclohexanol 1-Bromo-1-hydroxy-2-(3'-methyl-3'-hydroxypent-4'-enyl)-3'-(4''-methylpent-3''-enyl)-3,4-dimethylcyclohexane Luzodiol (1R,2S,3S,4S)-4-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-1,3-dimethyl-3-(4-methylpent-3-enyl)-1-cyclohexanol (1R,2S,3S,4S)-4-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-1,3-dimethyl-3-(4-methylpent-3-enyl)cyclohexan-1-ol (1R,2S,3S,4S)-4-bromanyl-1,3-dimethyl-2-(3-methyl-3-oxidanyl-pent-4-enyl)-3-(4-methylpent-3-enyl)cyclohexan-1-ol
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Formula C20H35BrO2
InChI InChI=1S/C20H35BrO2/c1-7-18(4,22)13-10-16-19(5,12-8-9-15(2)3)17(21)11-14-20(16,6)23/h7,9,16-17,22-23H,1,8,10-14H2,2-6H3/t16-,17-,18?,19-,20+/m0/s1
InChIKey YQCSNTCEUMEKDO-XIBWBMNSSA-N
Molecular Weight 387.402 g/mol
SMILES O[C@@]1(CC[C@@]([C@]([C@@]1(CCC(C=C)(O)C)[H])(CCC=C(C)C)C)(Br)[H])C
SPLASH splash10-0600-9420000000-8b0d45ee262d21136a80
Source of Spectrum X2-68-1316-4
Wiley ID 1609698