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5A-(2-AMINOPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID B2pvLMn6Bau
InChI InChI=1S/C18H25N3O7S/c1-16(26,9-22)13(23)18-15(25)20-17(27,14(24)21-18)10(6-7-28-18)8-29-12-5-3-2-4-11(12)19/h2-5,10,13,22-23,26-27H,6-9,19H2,1H3,(H,20,25)(H,21,24)/t10-,13?,16?,17+,18+/m0/s1
InChIKey RHNXRJRFEIBBAS-LAMWKTDUSA-N
Mol Weight 427.47 g/mol
Molecular Formula C18H25N3O7S
Exact Mass 427.141321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7flykUZcJ0C
Name 5A-(2-AMINOPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N3O7S
InChI InChI=1S/C18H25N3O7S/c1-16(26,9-22)13(23)18-15(25)20-17(27,14(24)21-18)10(6-7-28-18)8-29-12-5-3-2-4-11(12)19/h2-5,10,13,22-23,26-27H,6-9,19H2,1H3,(H,20,25)(H,21,24)/t10-,13?,16?,17+,18+/m0/s1
InChIKey RHNXRJRFEIBBAS-LAMWKTDUSA-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 427.472 g/mol
Solvent CD3OD
Source File Reference UWVN25363