| SpectraBase Compound ID | EAdt37zjTZ1 |
|---|---|
| InChI | InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)62-23(5)31(47-35(54)28(20-50)63-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)/t21-,22+,23-,25+,26+,27+,28-,29-,30+,31+,32+/m1/s1 |
| InChIKey | CBOQYDTUADEFQZ-LLFADLIJSA-N |
| Mol Weight | 926.1 g/mol |
| Molecular Formula | C40H63N9O14S |
| Exact Mass | 925.421519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MTSdl5m3wV |
|---|---|
| Name | MICROPEPTIN_MZ-925 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H63N9O14S |
| InChI | InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)62-23(5)31(47-35(54)28(20-50)63-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)/t21-,22+,23-,25+,26+,27+,28-,29-,30+,31+,32+/m1/s1 |
| InChIKey | CBOQYDTUADEFQZ-LLFADLIJSA-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 | 926.052 g/mol |
| Sample ID | 35057 |
| Solvent | DMSO-D6 |