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ISOROGIOLEYGENINE-A;(+)-(1R,2R,3S,5R,7S)-2-(BROMOMETHYL)-5-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-3-ETHYL-4,8-DIOXABICYCLO-[5.1.0]-OCTANE

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ISOROGIOLEYGENINE-A;(+)-(1R,2R,3S,5R,7S)-2-(BROMOMETHYL)-5-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-3-ETHYL-4,8-DIOXABICYCLO-[5.1.0]-OCTANE
SpectraBase Compound ID 3tDL6ub2iRX
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-11(17)13-8-14-15(19-14)10(9-16)12(4-2)18-13/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10-,11-,12+,13?,14+,15-/m1/s1
InChIKey WWXDSNUMWFIGFH-BQIQLDJPSA-N
Mol Weight 347.68 g/mol
Molecular Formula C15H20BrClO2
Exact Mass 346.033521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwUc0UN8a0o
Name ISOROGIOLEYGENINE-A;(+)-(1R,2R,3S,5R,7S)-2-(BROMOMETHYL)-5-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-3-ETHYL-4,8-DIOXABICYCLO-[5.1.0]-OCTANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20BrClO2
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-11(17)13-8-14-15(19-14)10(9-16)12(4-2)18-13/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10-,11-,12+,13?,14+,15-/m1/s1
InChIKey WWXDSNUMWFIGFH-BQIQLDJPSA-N
Literature Reference Author G.GUELLA,I.MANCINI,G.CHIASERA,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,75,303(1992)
Literature Reference DOI 10.1002/hlca.19920750127
Molecular Weight 347.680 g/mol
Solvent CDCl3
Source File Reference UWCS6110