| SpectraBase Compound ID | E2JXPL2vzeQ |
|---|---|
| InChI | InChI=1S/C53H70N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-20,28-30,36-40,42-45,62-64,66H,7,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30-,36-,37+,38+,39?,40?,42-,43+,44+,45+/m1/s1 |
| InChIKey | HUXQLCBYRTWEFS-SHKGFYTQSA-N |
| Mol Weight | 1043.2 g/mol |
| Molecular Formula | C53H70N8O14 |
| Exact Mass | 1042.501149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EAv9MoKSy9 |
|---|---|
| Name | ICHTHYOPEPTIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H70N8O14 |
| InChI | InChI=1S/C53H70N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-20,28-30,36-40,42-45,62-64,66H,7,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30-,36-,37+,38+,39?,40?,42-,43+,44+,45+/m1/s1 |
| InChIKey | HUXQLCBYRTWEFS-SHKGFYTQSA-N |
| Literature Reference Author | E.N.ZAINUDDIN,R.MENTEL,V.WRAY,R.JANSEN,M.NIMTZ,M.LALK,S.MUND T |
| Literature Reference Citation | J.NAT.PROD.,70,1084(2007) |
| Literature Reference DOI | 10.1021/np060303s |
| Molecular Weight | 1043.184 g/mol |
| Sample ID | 30570 |
| Solvent | CD3CN:D2O |