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ZELKOVAMYCIN;CYCLO-[GLYCYL-(2-AMINO-BUTANOYL)-(2-AMINO-2-BUTENOYL)-(N-METHYL-GLYCYL)-ALANAYL-1,3-THIAZOYL-7-METHOXY-TRYPTOPHANYL-(2-METHYL-DEHYDRO-THERONYL)]
SpectraBase Compound ID G4sTCRhIEO3
InChI InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9-
InChIKey VYMRECQGDKKGCJ-AQHIEDMUSA-N
Mol Weight 779.9 g/mol
Molecular Formula C36H45N9O9S
Exact Mass 779.306095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XF6yMNbdrn
Name ZELKOVAMYCIN;CYCLO-[GLYCYL-(2-AMINO-BUTANOYL)-(2-AMINO-2-BUTENOYL)-(N-METHYL-GLYCYL)-ALANAYL-1,3-THIAZOYL-7-METHOXY-TRYPTOPHANYL-(2-METHYL-DEHYDRO-THERONYL)]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H45N9O9S
InChI InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9-
InChIKey VYMRECQGDKKGCJ-AQHIEDMUSA-N
Literature Reference Author N.TABATA,H.TOMODA,H.ZHANG,R.UCHIDA,S.OMURA
Literature Reference Citation J.ANTIBIOTICS,52,34(1999)
Literature Reference DOI 10.7164/antibiotics.52.34
Molecular Weight 779.868 g/mol
Solvent CDCl3
Source File Reference UWRU975