| SpectraBase Compound ID | 3dHCRO0AwVk |
|---|---|
| InChI | InChI=1S/C40H63N9O18S2/c1-7-20(3)30-39(58)66-22(5)31(47-35(54)28(67-69(62,63)64)19-65-68(59,60)61)36(55)44-25(10-9-17-43-40(41)42)33(52)45-26-15-16-29(51)49(37(26)56)32(21(4)8-2)38(57)48(6)27(34(53)46-30)18-23-11-13-24(50)14-12-23/h11-14,20-22,25-32,50-51H,7-10,15-19H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)(H,62,63,64)/p-1/t20-,21-,22+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | QONBAISRUZCJFF-KMHGOLGOSA-M |
| Mol Weight | 1021.1 g/mol |
| Molecular Formula | C40H62N9O18S2 |
| Exact Mass | 1020.365424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1k6ZlvjiRjs |
|---|---|
| Name | MICROPEPTIN_HU1021 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62N9O18S2 |
| InChI | InChI=1S/C40H63N9O18S2/c1-7-20(3)30-39(58)66-22(5)31(47-35(54)28(67-69(62,63)64)19-65-68(59,60)61)36(55)44-25(10-9-17-43-40(41)42)33(52)45-26-15-16-29(51)49(37(26)56)32(21(4)8-2)38(57)48(6)27(34(53)46-30)18-23-11-13-24(50)14-12-23/h11-14,20-22,25-32,50-51H,7-10,15-19H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)(H,62,63,64)/p-1/t20-,21-,22+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | QONBAISRUZCJFF-KMHGOLGOSA-M |
| Literature Reference Author | S.GESNER-APTER,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,72,1429(2009) |
| Literature Reference DOI | 10.1021/np900340t |
| Molecular Weight | 1021.102 g/mol |
| Sample ID | 33339 |
| Solvent | DMSO-D6 |