| SpectraBase Compound ID | 2ID3LOx1FFo |
|---|---|
| InChI | InChI=1S/C38H61N9O8/c1-8-21(3)30-37(53)55-23(5)29(39)34(50)43-25(16-13-19-42-38(40)41)32(48)44-26-17-18-28(54-7)47(35(26)51)31(22(4)9-2)36(52)46(6)27(33(49)45-30)20-24-14-11-10-12-15-24/h10-12,14-15,21-23,25-31H,8-9,13,16-20,39H2,1-7H3,(H,43,50)(H,44,48)(H,45,49)(H4,40,41,42)/t21-,22+,23-,25+,26+,27+,28-,29+,30+,31+/m1/s1 |
| InChIKey | JVWJZPMAMBSFIP-CABMIHJGSA-N |
| Mol Weight | 772.0 g/mol |
| Molecular Formula | C38H61N9O8 |
| Exact Mass | 771.46431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVsMxK8qV68 |
|---|---|
| Name | MICROPEPTIN_MZ-771 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H61N9O8 |
| InChI | InChI=1S/C38H61N9O8/c1-8-21(3)30-37(53)55-23(5)29(39)34(50)43-25(16-13-19-42-38(40)41)32(48)44-26-17-18-28(54-7)47(35(26)51)31(22(4)9-2)36(52)46(6)27(33(49)45-30)20-24-14-11-10-12-15-24/h10-12,14-15,21-23,25-31H,8-9,13,16-20,39H2,1-7H3,(H,43,50)(H,44,48)(H,45,49)(H4,40,41,42)/t21-,22+,23-,25+,26+,27+,28-,29+,30+,31+/m1/s1 |
| InChIKey | JVWJZPMAMBSFIP-CABMIHJGSA-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 | 771.958 g/mol |
| Sample ID | 35060 |
| Solvent | DMSO-D6 |