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5A-(QUINOLIN-6-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID H3dOgD3AMzb
InChI InChI=1S/C22H27N3O7S/c1-20(30,12-26)17(27)22-19(29)24-21(31,18(28)25-22)15(6-8-32-22)11-33-10-13-4-5-16-14(9-13)3-2-7-23-16/h2-5,7,9,15,17,26-27,30-31H,6,8,10-12H2,1H3,(H,24,29)(H,25,28)/t15?,17?,20?,21-,22-/m1/s1
InChIKey UQYSUJACRXASPB-SSQXXTRJSA-N
Mol Weight 477.53 g/mol
Molecular Formula C22H27N3O7S
Exact Mass 477.156971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdRn7nSiwtj
Name 5A-(QUINOLIN-6-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O7S
InChI InChI=1S/C22H27N3O7S/c1-20(30,12-26)17(27)22-19(29)24-21(31,18(28)25-22)15(6-8-32-22)11-33-10-13-4-5-16-14(9-13)3-2-7-23-16/h2-5,7,9,15,17,26-27,30-31H,6,8,10-12H2,1H3,(H,24,29)(H,25,28)/t15?,17?,20?,21-,22-/m1/s1
InChIKey UQYSUJACRXASPB-SSQXXTRJSA-N
Literature Reference Author A.P.BROGAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,68,5575(2003)
Literature Reference DOI 10.1021/jo030020u
Molecular Weight 477.532 g/mol
Solvent CD3OD
Source File Reference UWVN25374