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(4-((1S,4S)-4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)methyl acetate

View entire compound with spectra: 1 MS (GC)

(4-((1S,4S)-4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)methyl acetate
SpectraBase Compound ID 5E0i73yjhNI
InChI InChI=1S/C17H25BrO4/c1-12(19)20-11-16-6-8-17(9-7-16,22-21-16)13-4-5-14(18)15(2,3)10-13/h6,8,13-14H,4-5,7,9-11H2,1-3H3/t13-,14-,16?,17?/m0/s1
InChIKey BXPQIWLMEKLSCR-JCAIJIATSA-N
Mol Weight 373.29 g/mol
Molecular Formula C17H25BrO4
Exact Mass 372.093622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9ypioDfE3g
Name (4-((1S,4S)-4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)methyl acetate
Alternate Name(s) Acetylmajapolene A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25BrO4
InChI InChI=1S/C17H25BrO4/c1-12(19)20-11-16-6-8-17(9-7-16,22-21-16)13-4-5-14(18)15(2,3)10-13/h6,8,13-14H,4-5,7,9-11H2,1-3H3/t13-,14-,16?,17?/m0/s1
InChIKey BXPQIWLMEKLSCR-JCAIJIATSA-N
Molecular Weight 373.287 g/mol
SMILES [C@]1(CC[C@](CC1(C)C)([H])C12CCC(C=C2)(OO1)COC(=O)C)(Br)[H]
SPLASH splash10-0a4l-6900000000-a8f14115226644e54f9b
Source of Spectrum Charles Santhanaraju Vairappan, et al. Phytochemistry, V. 69, 2008, P.2490-2494
Wiley ID 1817402