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TRIERIXIN_Q
SpectraBase Compound ID F6Mi0kcGI2H
InChI InChI=1S/C37H50N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,42H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,19-12+,23-15-
InChIKey MXVMBCZRLXJVMQ-GTRHLNJYSA-N
Mol Weight 682.9 g/mol
Molecular Formula C37H50N2O8S
Exact Mass 682.328788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVRoIYA6sJh
Name TRIERIXIN_Q
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H50N2O8S
InChI InChI=1S/C37H50N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,42H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,19-12+,23-15-
InChIKey MXVMBCZRLXJVMQ-GTRHLNJYSA-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 682.873 g/mol
Solvent CDCl3
Source File Reference UWMB162