| SpectraBase Compound ID | FBWQwx2jOsq |
|---|---|
| InChI | InChI=1S/C49H68N8O12/c1-26(2)21-34-42(61)51-33-15-12-20-57(47(33)66)37(22-27(3)4)48(67)56(8)36(23-30-13-10-9-11-14-30)44(63)54-40(28(5)6)49(68)69-29(7)41(46(65)53-34)55-43(62)35(25-39(50)60)52-45(64)38(59)24-31-16-18-32(58)19-17-31/h9-14,16-20,26-29,33-38,40-41,58-59H,15,21-25H2,1-8H3,(H2,50,60)(H,51,61)(H,52,64)(H,53,65)(H,54,63)(H,55,62)/t29-,33+,34+,35+,36+,37+,38-,40+,41+/m1/s1 |
| InChIKey | DFOCHYXOOMGICE-QGHDNFDISA-N |
| Mol Weight | 961.1 g/mol |
| Molecular Formula | C49H68N8O12 |
| Exact Mass | 960.49567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zuTLSkAuwh |
|---|---|
| Name | MICROPEPTIN_HH960 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H68N8O12 |
| InChI | InChI=1S/C49H68N8O12/c1-26(2)21-34-42(61)51-33-15-12-20-57(47(33)66)37(22-27(3)4)48(67)56(8)36(23-30-13-10-9-11-14-30)44(63)54-40(28(5)6)49(68)69-29(7)41(46(65)53-34)55-43(62)35(25-39(50)60)52-45(64)38(59)24-31-16-18-32(58)19-17-31/h9-14,16-20,26-29,33-38,40-41,58-59H,15,21-25H2,1-8H3,(H2,50,60)(H,51,61)(H,52,64)(H,53,65)(H,54,63)(H,55,62)/t29-,33+,34+,35+,36+,37+,38-,40+,41+/m1/s1 |
| InChIKey | DFOCHYXOOMGICE-QGHDNFDISA-N |
| Literature Reference Author | A.LODIN-FRIEDMAN,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,1196(2013) |
| Literature Reference DOI | 10.1021/np400281q |
| Molecular Weight | 961.125 g/mol |
| Sample ID | 42693 |
| Solvent | DMSO-D6 |