| SpectraBase Compound ID | J7L8YFMRiKy |
|---|---|
| InChI | InChI=1S/C49H70N8O13/c1-9-27(6)41-48(68)56(8)35(22-29-13-11-10-12-14-29)44(64)54-39(26(4)5)49(69)70-28(7)40(46(66)53-33(21-25(2)3)42(62)51-32-19-20-38(61)57(41)47(32)67)55-43(63)34(24-37(50)60)52-45(65)36(59)23-30-15-17-31(58)18-16-30/h10-18,25-28,32-36,38-41,58-59,61H,9,19-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t27-,28-,32-,33-,34+,35?,36?,38+,39-,40-,41-/m0/s1 |
| InChIKey | ISXVVVPYLBADKW-PMUQTLTASA-N |
| Mol Weight | 979.1 g/mol |
| Molecular Formula | C49H70N8O13 |
| Exact Mass | 978.506234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9xWF5hbnRY |
|---|---|
| Name | ICHTHYOPEPTIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H70N8O13 |
| InChI | InChI=1S/C49H70N8O13/c1-9-27(6)41-48(68)56(8)35(22-29-13-11-10-12-14-29)44(64)54-39(26(4)5)49(69)70-28(7)40(46(66)53-33(21-25(2)3)42(62)51-32-19-20-38(61)57(41)47(32)67)55-43(63)34(24-37(50)60)52-45(65)36(59)23-30-15-17-31(58)18-16-30/h10-18,25-28,32-36,38-41,58-59,61H,9,19-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t27-,28-,32-,33-,34+,35?,36?,38+,39-,40-,41-/m0/s1 |
| InChIKey | ISXVVVPYLBADKW-PMUQTLTASA-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 | 979.141 g/mol |
| Sample ID | 30571 |
| Solvent | CD3CN:D2O=1:1 |