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5A-(ANTHRAQUINON-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID 9YdLgmVHnyY
InChI InChI=1S/C27H28N2O9S/c1-25(36,13-30)22(33)27-24(35)28-26(37,23(34)29-27)15(8-9-38-27)12-39-11-14-6-7-18-19(10-14)21(32)17-5-3-2-4-16(17)20(18)31/h2-7,10,15,22,30,33,36-37H,8-9,11-13H2,1H3,(H,28,35)(H,29,34)/t15-,22?,25?,26+,27+/m0/s1
InChIKey JJYJQKCNVFXCGC-OXRHQPMSSA-N
Mol Weight 556.59 g/mol
Molecular Formula C27H28N2O9S
Exact Mass 556.151552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFMPGX2gMk6
Name 5A-(ANTHRAQUINON-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N2O9S
InChI InChI=1S/C27H28N2O9S/c1-25(36,13-30)22(33)27-24(35)28-26(37,23(34)29-27)15(8-9-38-27)12-39-11-14-6-7-18-19(10-14)21(32)17-5-3-2-4-16(17)20(18)31/h2-7,10,15,22,30,33,36-37H,8-9,11-13H2,1H3,(H,28,35)(H,29,34)/t15-,22?,25?,26+,27+/m0/s1
InChIKey JJYJQKCNVFXCGC-OXRHQPMSSA-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 556.587 g/mol
Solvent CD3OD
Source File Reference UWVN25388