| SpectraBase Compound ID | 5Tf2YJcZDce |
|---|---|
| InChI | InChI=1S/C41H65N9O14S/c1-8-22(3)31-40(58)63-24(5)32(48-36(54)29(21-51)64-65(59,60)61)37(55)45-26(16-13-19-44-41(42)43)34(52)46-27-17-18-30(62-7)50(38(27)56)33(23(4)9-2)39(57)49(6)28(35(53)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33,51H,8-9,13,16-21H2,1-7H3,(H,45,55)(H,46,52)(H,47,53)(H,48,54)(H4,42,43,44)(H,59,60,61)/t22-,23+,24-,26+,27+,28+,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | KAYMQKAMCDUXRP-YQPCQRLJSA-N |
| Mol Weight | 940.1 g/mol |
| Molecular Formula | C41H65N9O14S |
| Exact Mass | 939.437169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3b3QAuzbrSG |
|---|---|
| Name | MICROPEPTIN_MZ-939B |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65N9O14S |
| InChI | InChI=1S/C41H65N9O14S/c1-8-22(3)31-40(58)63-24(5)32(48-36(54)29(21-51)64-65(59,60)61)37(55)45-26(16-13-19-44-41(42)43)34(52)46-27-17-18-30(62-7)50(38(27)56)33(23(4)9-2)39(57)49(6)28(35(53)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33,51H,8-9,13,16-21H2,1-7H3,(H,45,55)(H,46,52)(H,47,53)(H,48,54)(H4,42,43,44)(H,59,60,61)/t22-,23+,24-,26+,27+,28+,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | KAYMQKAMCDUXRP-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 | 940.079 g/mol |
| Sample ID | 35058 |
| Solvent | DMSO-D6 |