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5A-(NAPHTH-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER
SpectraBase Compound ID 9PoG6HZ4caN
InChI InChI=1S/C26H32N2O7S/c1-23(2)34-15-24(3,35-23)20(29)26-22(31)27-25(32,21(30)28-26)19(10-11-33-26)14-36-13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,19-20,29,32H,10-11,13-15H2,1-3H3,(H,27,31)(H,28,30)/t19-,20?,24?,25+,26+/m0/s1
InChIKey VHTLTDWUSFDNMR-ALDDWWQNSA-N
Mol Weight 516.6 g/mol
Molecular Formula C26H32N2O7S
Exact Mass 516.193023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dmy7MES6rLj
Name 5A-(NAPHTH-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MINOR-DIASTEREOMER
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N2O7S
InChI InChI=1S/C26H32N2O7S/c1-23(2)34-15-24(3,35-23)20(29)26-22(31)27-25(32,21(30)28-26)19(10-11-33-26)14-36-13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,19-20,29,32H,10-11,13-15H2,1-3H3,(H,27,31)(H,28,30)/t19-,20?,24?,25+,26+/m0/s1
InChIKey VHTLTDWUSFDNMR-ALDDWWQNSA-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 516.609 g/mol
Solvent CD3OD
Source File Reference UWVN25357