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5A-PHENYLSULFANYL-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID HwU1Jqg5cL5
InChI InChI=1S/C18H24N2O7S/c1-16(25,10-21)13(22)18-15(24)19-17(26,14(23)20-18)11(7-8-27-18)9-28-12-5-3-2-4-6-12/h2-6,11,13,21-22,25-26H,7-10H2,1H3,(H,19,24)(H,20,23)/t11-,13?,16?,17+,18+/m0/s1
InChIKey WYVVLJPANXBCBH-MAIIPRFSSA-N
Mol Weight 412.46 g/mol
Molecular Formula C18H24N2O7S
Exact Mass 412.130422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2j9NrKLw4uU
Name 5A-PHENYLSULFANYL-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O7S
InChI InChI=1S/C18H24N2O7S/c1-16(25,10-21)13(22)18-15(24)19-17(26,14(23)20-18)11(7-8-27-18)9-28-12-5-3-2-4-6-12/h2-6,11,13,21-22,25-26H,7-10H2,1H3,(H,19,24)(H,20,23)/t11-,13?,16?,17+,18+/m0/s1
InChIKey WYVVLJPANXBCBH-MAIIPRFSSA-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 412.458 g/mol
Solvent CD3OD
Source File Reference UWVN25395