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(1S,3R) 2,2-Dimethyl-1-bromo-4-methylene-3-(5'-bromo-4'-acetoxy-3'-methyl-2'-pentenyl)-cyclohexane
SpectraBase Compound ID 95W7BB0gVf2
InChI InChI=1S/C17H26Br2O2/c1-11-7-9-16(19)17(4,5)14(11)8-6-12(2)15(10-18)21-13(3)20/h6,14-16H,1,7-10H2,2-5H3/b12-6+/t14-,15?,16+/m1/s1
InChIKey CAABAOKUTIAZRL-LXSBGXMYSA-N
Mol Weight 422.2 g/mol
Molecular Formula C17H26Br2O2
Exact Mass 420.029956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnLCK6C7VU2
Name (1S,3R) 2,2-Dimethyl-1-bromo-4-methylene-3-(5'-bromo-4'-acetoxy-3'-methyl-2'-pentenyl)-cyclohexane
Alternate Name(s) (2E)-4-[(1R,3S)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]-1-(bromomethyl)-2-methyl-2-butenyl acetate 2,2-Dimethyl-1-bromo-4-methylene-3-(5'-bromo-4'-acetoxy-3'-methyl-2'-pentenyl)-cyclohexane Luzonensol-acetate
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Formula C17H26Br2O2
InChI InChI=1S/C17H26Br2O2/c1-11-7-9-16(19)17(4,5)14(11)8-6-12(2)15(10-18)21-13(3)20/h6,14-16H,1,7-10H2,2-5H3/b12-6+/t14-,15?,16+/m1/s1
InChIKey CAABAOKUTIAZRL-LXSBGXMYSA-N
Molecular Weight 422.201 g/mol
SMILES C1([C@@](C(=C)CC[C@@]1(Br)[H])(C\C=C\(C(OC(=O)C)CBr)C)[H])(C)C
SPLASH splash10-0kmi-0951000000-94d1a6bae48e384124e8
Source of Spectrum G4-64-699-8
Wiley ID 1608997