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THIAZINOTRIENOMYCIN-A
SpectraBase Compound ID IRUiJZ2wy8J
InChI InChI=1S/C38H49N3O8S/c1-23-14-13-17-27-20-29-36(50-22-32(43)40-29)33(35(27)45)41-31(42)21-28(48-4)18-11-6-5-7-12-19-30(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14-15,18,20,24-25,28,30,34,44-45H,8-10,13,16-17,19,21-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,42)/b6-5+,12-7+,18-11+,23-14-
InChIKey SLZPTPUBMSQVAK-YFQVXFPISA-N
Mol Weight 707.9 g/mol
Molecular Formula C38H49N3O8S
Exact Mass 707.324037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28rLS68Z1t0
Name THIAZINOTRIENOMYCIN-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H49N3O8S
InChI InChI=1S/C38H49N3O8S/c1-23-14-13-17-27-20-29-36(50-22-32(43)40-29)33(35(27)45)41-31(42)21-28(48-4)18-11-6-5-7-12-19-30(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14-15,18,20,24-25,28,30,34,44-45H,8-10,13,16-17,19,21-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,42)/b6-5+,12-7+,18-11+,23-14-
InChIKey SLZPTPUBMSQVAK-YFQVXFPISA-N
Literature Reference Author N.HOSOKAWA,H.NAGANAWA,H.IINUMA,M.HAMADA,T.TAKEUCHI,T.KANBE,M .HORI
Literature Reference Citation J.ANTIBIOTICS,48,471(1995)
Literature Reference DOI 10.7164/antibiotics.48.471
Molecular Weight 707.882 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBS238