| SpectraBase Compound ID | 6WAcYLY1O7R |
|---|---|
| InChI | InChI=1S/C56H83N15O21/c1-25(2)18-35(65-45(81)26(3)57)48(84)61-23-41(76)62-27(4)46(82)66-38(21-42(77)78)50(86)69-39(22-43(79)80)51(87)70-40(24-72)53(89)68-36(19-30-9-13-32(74)14-10-30)49(85)67-37(20-31-11-15-33(75)16-12-31)52(88)71-44(29(6)73)54(90)63-28(5)47(83)64-34(55(91)92)8-7-17-60-56(58)59/h9-16,25-29,34-40,44,72-75H,7-8,17-24,57H2,1-6H3,(H,61,84)(H,62,76)(H,63,90)(H,64,83)(H,65,81)(H,66,82)(H,67,85)(H,68,89)(H,69,86)(H,70,87)(H,71,88)(H,77,78)(H,79,80)(H,91,92)(H4,58,59,60) |
| InChIKey | CMDUWFHPJRYIHD-UHFFFAOYSA-N |
| Mol Weight | 1302.4 g/mol |
| Molecular Formula | C56H83N15O21 |
| Exact Mass | 1301.588795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uan6TfHLpt |
|---|---|
| Name | ALGADDSYYTAR;SYNTHETIC-PEPTIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H83N15O21 |
| InChI | InChI=1S/C56H83N15O21/c1-25(2)18-35(65-45(81)26(3)57)48(84)61-23-41(76)62-27(4)46(82)66-38(21-42(77)78)50(86)69-39(22-43(79)80)51(87)70-40(24-72)53(89)68-36(19-30-9-13-32(74)14-10-30)49(85)67-37(20-31-11-15-33(75)16-12-31)52(88)71-44(29(6)73)54(90)63-28(5)47(83)64-34(55(91)92)8-7-17-60-56(58)59/h9-16,25-29,34-40,44,72-75H,7-8,17-24,57H2,1-6H3,(H,61,84)(H,62,76)(H,63,90)(H,64,83)(H,65,81)(H,66,82)(H,67,85)(H,68,89)(H,69,86)(H,70,87)(H,71,88)(H,77,78)(H,79,80)(H,91,92)(H4,58,59,60) |
| InChIKey | CMDUWFHPJRYIHD-UHFFFAOYSA-N |
| Literature Reference Author | P.HENTSCHEL,M.KRUCKER,M.D.GRYNBAUM,K.PUTZBACH,R.BISCHOFF,K.A LBERT |
| Literature Reference Citation | MAGN.RES.CHEM.,43,747(2005) |
| Literature Reference DOI | 10.1002/mrc.1628 |
| Molecular Weight | 1302.363 g/mol |
| Sample ID | 32753 |
| Solvent | D2O |