For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5A-(PYRIDIN-4-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID B2TaAjPb84k
InChI InChI=1S/C17H23N3O7S/c1-15(25,9-21)12(22)17-14(24)19-16(26,13(23)20-17)10(4-7-27-17)8-28-11-2-5-18-6-3-11/h2-3,5-6,10,12,21-22,25-26H,4,7-9H2,1H3,(H,19,24)(H,20,23)/t10-,12?,15?,16+,17+/m0/s1
InChIKey NWLBKFWHOQSUCS-FSFYSSSPSA-N
Mol Weight 413.45 g/mol
Molecular Formula C17H23N3O7S
Exact Mass 413.125671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kc26aqYySor
Name 5A-(PYRIDIN-4-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER
Compound Number 3
Copyright Copyright © 2016-2024 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(4-7-27-17)8-28-11-2-5-18-6-3-11/h2-3,5-6,10,12,21-22,25-26H,4,7-9H2,1H3,(H,19,24)(H,20,23)/t10-,12?,15?,16+,17+/m0/s1
InChIKey NWLBKFWHOQSUCS-FSFYSSSPSA-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 UWVN25379