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QUINOTRIERIXIN_HQ
SpectraBase Compound ID CfZpYwN2N7o
InChI InChI=1S/C37H52N2O8S/c1-23-15-14-19-28-34(43)29(22-30(40)35(28)48-5)39-32(41)21-27(46-4)18-12-7-6-8-13-20-31(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,18,22,24-27,31,33,40,42-43H,9-11,14,16-17,19-21H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,18-12+,23-15-
InChIKey TVQLFVOZABMGBD-CMOBWZJLSA-N
Mol Weight 684.9 g/mol
Molecular Formula C37H52N2O8S
Exact Mass 684.344438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKvFTKDPyUs
Name QUINOTRIERIXIN_HQ
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52N2O8S
InChI InChI=1S/C37H52N2O8S/c1-23-15-14-19-28-34(43)29(22-30(40)35(28)48-5)39-32(41)21-27(46-4)18-12-7-6-8-13-20-31(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,18,22,24-27,31,33,40,42-43H,9-11,14,16-17,19-21H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,18-12+,23-15-
InChIKey TVQLFVOZABMGBD-CMOBWZJLSA-N
Literature Reference Author T.KAWAMURA,E.TASHIRO,K.YAMAMOTO,K.SHINDO,M.IMOTO
Literature Reference Citation J.ANTIBIOTICS,61,303(2008)
Literature Reference DOI 10.1038/ja.2008.43
Molecular Weight 684.888 g/mol
Solvent CDCl3
Source File Reference UWMB161