SpectraBase Compound ID | 3hpPFUV8J4b |
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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 |
SpectraBase Spectrum ID | 2XnPhTZLI1v |
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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 |