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MAJOR-DIASTEREOMER
SpectraBase Compound ID 9QaRRXE2jfC
InChI InChI=1S/C28H34N4O10S/c1-10(33)30-14(27(40)41)9-43-16-8-15(31(2)3)12-6-11-7-13-20(32(4)5)23(36)19(26(29)39)25(38)28(13,42)24(37)17(11)22(35)18(12)21(16)34/h8,11,13-14,20,34,36-37,42H,6-7,9H2,1-5H3,(H2,29,39)(H,30,33)(H,40,41)/t11-,13-,14?,20?,28-/m0/s1
InChIKey PDWCQYZZXRFMPK-MLENAUCLSA-N
Mol Weight 618.7 g/mol
Molecular Formula C28H34N4O10S
Exact Mass 618.199564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP8x5WPOLb8
Name MINOR-DIASTEREOMER
Compound Number M7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N4O10S
InChI InChI=1S/C28H34N4O10S/c1-10(33)30-14(27(40)41)9-43-16-8-15(31(2)3)12-6-11-7-13-20(32(4)5)23(36)19(26(29)39)25(38)28(13,42)24(37)17(11)22(35)18(12)21(16)34/h8,11,13-14,20,34,36-37,42H,6-7,9H2,1-5H3,(H2,29,39)(H,30,33)(H,40,41)/t11-,13-,14?,20?,28-/m0/s1
InChIKey PDWCQYZZXRFMPK-MLENAUCLSA-N
Literature Reference Author B.MANNARGUDI,D.MCNALLY,W.REYNOLDS,J.UETRECHT
Literature Reference Citation DRUG.MET.DISP.,37,1806(2009)
Literature Reference DOI 10.1124/dmd.109.027292
Molecular Weight 618.659 g/mol
Source File Reference UWLU74078