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5A-(NAPHTH-1-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID 2JnA6mrx7LJ
InChI InChI=1S/C22H26N2O7S/c1-20(29,12-25)17(26)22-19(28)23-21(30,18(27)24-22)14(9-10-31-22)11-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17,25-26,29-30H,9-12H2,1H3,(H,23,28)(H,24,27)/t14-,17?,20?,21-,22-/m1/s1
InChIKey JTXJHBXDBAVMEC-HTMPFNPUSA-N
Mol Weight 462.52 g/mol
Molecular Formula C22H26N2O7S
Exact Mass 462.146072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Efr18lmI4Nr
Name 5A-(NAPHTH-1-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O7S
InChI InChI=1S/C22H26N2O7S/c1-20(29,12-25)17(26)22-19(28)23-21(30,18(27)24-22)14(9-10-31-22)11-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,17,25-26,29-30H,9-12H2,1H3,(H,23,28)(H,24,27)/t14-,17?,20?,21-,22-/m1/s1
InChIKey JTXJHBXDBAVMEC-HTMPFNPUSA-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 462.518 g/mol
Solvent CD3OD
Source File Reference UWVN25367