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DOMINICIN
SpectraBase Compound ID AacOl8i8dgI
InChI InChI=1S/C43H72N8O9/c1-10-24(6)32-38(55)44-28(22-23(4)5)41(58)51-21-15-18-31(51)42(59)49-19-13-16-29(49)37(54)48-35(27(9)52)43(60)50-20-14-17-30(50)36(53)45-33(25(7)11-2)39(56)47-34(26(8)12-3)40(57)46-32/h23-35,52H,10-22H2,1-9H3,(H,44,55)(H,45,53)(H,46,57)(H,47,56)(H,48,54)/t24?,25?,26?,27?,28-,29-,30-,31+,32-,33-,34-,35-/m0/s1
InChIKey FVVRFBNEAGLTKU-TZOJAFQYSA-N
Mol Weight 845.1 g/mol
Molecular Formula C43H72N8O9
Exact Mass 844.542226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CM1z5zYnUam
Name DOMINICIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H72N8O9
InChI InChI=1S/C43H72N8O9/c1-10-24(6)32-38(55)44-28(22-23(4)5)41(58)51-21-15-18-31(51)42(59)49-19-13-16-29(49)37(54)48-35(27(9)52)43(60)50-20-14-17-30(50)36(53)45-33(25(7)11-2)39(56)47-34(26(8)12-3)40(57)46-32/h23-35,52H,10-22H2,1-9H3,(H,44,55)(H,45,53)(H,46,57)(H,47,56)(H,48,54)/t24?,25?,26?,27?,28-,29-,30-,31+,32-,33-,34-,35-/m0/s1
InChIKey FVVRFBNEAGLTKU-TZOJAFQYSA-N
Literature Reference Author D.E.WILLIAMS,B.O.PATRICK,H.W.BEHRISCH,R.V.SOEST,M.ROBERGE,R. J.ANDERSEN
Literature Reference Citation J.NAT.PROD.,68,327(2005)
Literature Reference DOI 10.1021/np049711r
Molecular Weight 845.093 g/mol
Solvent C5D5N
Source File Reference UWMZ7682