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5A-(PHENAZIN-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID CekwUsEsOD8
InChI InChI=1S/C25H30N4O7S/c1-23(34,13-30)20(31)25-22(33)28-24(35,21(32)29-25)15(8-9-36-25)12-37-11-14-6-7-18-19(10-14)27-17-5-3-2-4-16(17)26-18/h2-7,10,15,20,26-27,30-31,34-35H,8-9,11-13H2,1H3,(H,28,33)(H,29,32)/t15-,20?,23?,24+,25+/m0/s1
InChIKey NJGVXYDYGZPPEV-BEWRQPOESA-N
Mol Weight 530.6 g/mol
Molecular Formula C25H30N4O7S
Exact Mass 530.18352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CGBJBJYI3M
Name 5A-(PHENAZIN-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30N4O7S
InChI InChI=1S/C25H30N4O7S/c1-23(34,13-30)20(31)25-22(33)28-24(35,21(32)29-25)15(8-9-36-25)12-37-11-14-6-7-18-19(10-14)27-17-5-3-2-4-16(17)26-18/h2-7,10,15,20,26-27,30-31,34-35H,8-9,11-13H2,1H3,(H,28,33)(H,29,32)/t15-,20?,23?,24+,25+/m0/s1
InChIKey NJGVXYDYGZPPEV-BEWRQPOESA-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 530.596 g/mol
Solvent CD3OD
Source File Reference UWVN25377