| SpectraBase Compound ID | 9msh0kAZ5QN |
|---|---|
| InChI | InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1 |
| InChIKey | RAUPUVQHUFXDQT-IYLLGVDMSA-N |
| Mol Weight | 851.0 g/mol |
| Molecular Formula | C42H62N10O9 |
| Exact Mass | 850.470124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLVWnaNyKHf |
|---|---|
| Name | ANABAENOPEPTIN_DA850;CYCLO-(L-PHE-L-N-ME-ALA-L-HTY-L-ILE-D-LYS-N-EPSILON)-N-ALPHA-CO-L-ARG-COOH |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62N10O9 |
| InChI | InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1 |
| InChIKey | RAUPUVQHUFXDQT-IYLLGVDMSA-N |
| Literature Reference Author | S.ADIV,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,2307(2013) |
| Literature Reference DOI | 10.1021/np4006844 |
| Molecular Weight | 851.016 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43603 |