| SpectraBase Compound ID | JnGaktImBbj |
|---|---|
| InChI | InChI=1S/C41H64ClN9O12/c1-9-21(4)33-39(59)50(6)27(18-23-12-14-29(61-7)24(42)17-23)35(55)48-31(20(2)3)40(60)63-22(5)32(49-36(56)28(53)19-52)37(57)46-25(11-10-16-45-41(43)44)34(54)47-26-13-15-30(62-8)51(33)38(26)58/h12,14,17,20-22,25-28,30-33,52-53H,9-11,13,15-16,18-19H2,1-8H3,(H,46,57)(H,47,54)(H,48,55)(H,49,56)(H4,43,44,45)/p+1/t21-,22+,25-,26-,27-,28+,30+,31-,32+,33-/m0/s1 |
| InChIKey | LURNUBHCAYLVKT-NZXFVDCPSA-O |
| Mol Weight | 911.5 g/mol |
| Molecular Formula | C41H65ClN9O12 |
| Exact Mass | 910.444121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bh3svi5guOH |
|---|---|
| Name | MICROPEPTIN_HU909 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65ClN9O12 |
| InChI | InChI=1S/C41H64ClN9O12/c1-9-21(4)33-39(59)50(6)27(18-23-12-14-29(61-7)24(42)17-23)35(55)48-31(20(2)3)40(60)63-22(5)32(49-36(56)28(53)19-52)37(57)46-25(11-10-16-45-41(43)44)34(54)47-26-13-15-30(62-8)51(33)38(26)58/h12,14,17,20-22,25-28,30-33,52-53H,9-11,13,15-16,18-19H2,1-8H3,(H,46,57)(H,47,54)(H,48,55)(H,49,56)(H4,43,44,45)/p+1/t21-,22+,25-,26-,27-,28+,30+,31-,32+,33-/m0/s1 |
| InChIKey | LURNUBHCAYLVKT-NZXFVDCPSA-O |
| 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 | 911.473 g/mol |
| Sample ID | 33344 |
| Solvent | DMSO-D6 |