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5,6-EPOXY-6-METHYL-2-(4'-METHYL-5'-OXIDO-2',3'-DIHYDROFURO-[2,3-C]-QUINOLIN-2'-YL)-HEPTAN-2-OL
SpectraBase Compound ID CvX8zEQA7lq
InChI InChI=1S/2C20H25NO4/c2*1-12-14-11-17(20(4,22)10-9-16-19(2,3)25-16)24-18(14)13-7-5-6-8-15(13)21(12)23/h2*5-8,16-17,22H,9-11H2,1-4H3/t2*16?,17-,20+/m00/s1
InChIKey JYPHSTFRIVNOFU-GUXFPYFMSA-N
Mol Weight 686.85 g/mol
Molecular Formula C40H50N2O8
Exact Mass 686.356717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eoJnEuXcQY
Name 5,6-EPOXY-6-METHYL-2-(4'-METHYL-5'-OXIDO-2',3'-DIHYDROFURO-[2,3-C]-QUINOLIN-2'-YL)-HEPTAN-2-OL
Compound Number 2 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H50N2O8
InChI InChI=1S/2C20H25NO4/c2*1-12-14-11-17(20(4,22)10-9-16-19(2,3)25-16)24-18(14)13-7-5-6-8-15(13)21(12)23/h2*5-8,16-17,22H,9-11H2,1-4H3/t2*16?,17-,20+/m00/s1
InChIKey JYPHSTFRIVNOFU-GUXFPYFMSA-N
Literature Reference Author X.W.LI,J.HERRMANN,Y.ZANG,P.GRELLIER,S.PRADO,R.MUELLER,B.NAY
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1551(2013)
Literature Reference DOI 10.3762/bjoc.9.176
Molecular Weight 686.846 g/mol
Solvent CDCl3
Source File Reference UWLU77181