John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=86Xkgkl21Yr SpectraBase Spectrum ID=EfAdVt3eiBg

(accessed ).
5A-(PYRIDIN-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID 86Xkgkl21Yr
InChI InChI=1S/C17H23N3O7S/c1-15(25,9-21)12(22)17-14(24)19-16(26,13(23)20-17)10(5-7-27-17)8-28-11-4-2-3-6-18-11/h2-4,6,10,12,21-22,25-26H,5,7-9H2,1H3,(H,19,24)(H,20,23)/t10?,12?,15?,16-,17-/m1/s1
InChIKey ACNBMGDMTWHHNA-BMLMHQKYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C17H23N3O7S
Exact Mass 413.125672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfAdVt3eiBg
Name 5A-(PYRIDIN-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23N3O7S
InChI InChI=1S/C17H23N3O7S/c1-15(25,9-21)12(22)17-14(24)19-16(26,13(23)20-17)10(5-7-27-17)8-28-11-4-2-3-6-18-11/h2-4,6,10,12,21-22,25-26H,5,7-9H2,1H3,(H,19,24)(H,20,23)/t10?,12?,15?,16-,17-/m1/s1
InChIKey ACNBMGDMTWHHNA-BMLMHQKYSA-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 413.446 g/mol
Solvent CD3OD
Source File Reference UWVN25380
SpectraBase Batch ID 7ReGattFw6M