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MICROPEPTIN_MZ-1019
SpectraBase Compound ID 3hpPFUV8J4b
InChI InChI=1S/C41H65N9O17S2/c1-8-22(3)31-40(57)66-24(5)32(48-36(53)29(67-69(61,62)63)21-65-68(58,59)60)37(54)45-26(16-13-19-44-41(42)43)34(51)46-27-17-18-30(64-7)50(38(27)55)33(23(4)9-2)39(56)49(6)28(35(52)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33H,8-9,13,16-21H2,1-7H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)(H4,42,43,44)(H,58,59,60)(H,61,62,63)/t22-,23+,24-,26+,27+,28+,29-,30-,31+,32+,33+/m1/s1
InChIKey ANMNVFNXQIABAK-YQPCQRLJSA-N
Mol Weight 1020.1 g/mol
Molecular Formula C41H65N9O17S2
Exact Mass 1019.393984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XnPhTZLI1v
Name MICROPEPTIN_MZ-1019
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H65N9O17S2
InChI InChI=1S/C41H65N9O17S2/c1-8-22(3)31-40(57)66-24(5)32(48-36(53)29(67-69(61,62)63)21-65-68(58,59)60)37(54)45-26(16-13-19-44-41(42)43)34(51)46-27-17-18-30(64-7)50(38(27)55)33(23(4)9-2)39(56)49(6)28(35(52)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33H,8-9,13,16-21H2,1-7H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)(H4,42,43,44)(H,58,59,60)(H,61,62,63)/t22-,23+,24-,26+,27+,28+,29-,30-,31+,32+,33+/m1/s1
InChIKey ANMNVFNXQIABAK-YQPCQRLJSA-N
Literature Reference Author E.ZAFRIR,S.CARMELI
Literature Reference Citation J.NAT.PROD.,73,352(2010)
Literature Reference DOI 10.1021/np900546u
Molecular Weight 1020.137 g/mol
Sample ID 35059
Solvent DMSO-D6