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5A-(PHENAZIN-2-YL-METHYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER
SpectraBase Compound ID BVJP7B09Ecl
InChI InChI=1S/C28H34N4O7S/c1-25(2)38-15-26(3,39-25)22(33)28-24(35)31-27(36,23(34)32-28)17(10-11-37-28)14-40-13-16-8-9-20-21(12-16)30-19-7-5-4-6-18(19)29-20/h4-9,12,17,22,29-30,33,36H,10-11,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,22?,26?,27+,28+/m0/s1
InChIKey ANDMIARKNQXERI-QHGJSEODSA-N
Mol Weight 570.7 g/mol
Molecular Formula C28H34N4O7S
Exact Mass 570.214821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6GLokUZk0d
Name 5A-(PHENAZIN-2-YL-METHYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MINOR-DIASTEREOMER
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N4O7S
InChI InChI=1S/C28H34N4O7S/c1-25(2)38-15-26(3,39-25)22(33)28-24(35)31-27(36,23(34)32-28)17(10-11-37-28)14-40-13-16-8-9-20-21(12-16)30-19-7-5-4-6-18(19)29-20/h4-9,12,17,22,29-30,33,36H,10-11,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,22?,26?,27+,28+/m0/s1
InChIKey ANDMIARKNQXERI-QHGJSEODSA-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 570.661 g/mol
Solvent CD3OD
Source File Reference UWVN25361