| SpectraBase Compound ID | 4SJMfaoHIbe |
|---|---|
| InChI | InChI=1S/C60H86N16O12/c1-5-34(4)49(58(86)75-25-11-18-46(75)57(85)76-26-12-19-47(76)59(87)88)72-52(80)42(29-36-31-63-32-66-36)70-54(82)45-17-9-23-73(45)55(83)40(15-8-22-64-60(61)62)68-53(81)44-16-10-24-74(44)56(84)43(28-35-30-65-38-14-7-6-13-37(35)38)71-51(79)41(27-33(2)3)69-50(78)39-20-21-48(77)67-39/h6-7,13-14,30-34,39-47,49,65H,5,8-12,15-29H2,1-4H3,(H,63,66)(H,67,77)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H,87,88)(H4,61,62,64)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1 |
| InChIKey | MBFLJUASZSNUPY-UAUAYLGKSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C60H86N16O12 |
| Exact Mass | 1222.661112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIRXexgLoNF |
|---|---|
| Name | PEPTIDE-F;P-GLU-LEU-TRP-PRO-ARG-PRO-HIS-ILE-PRO-PRO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H86N16O12 |
| InChI | InChI=1S/C60H86N16O12/c1-5-34(4)49(58(86)75-25-11-18-46(75)57(85)76-26-12-19-47(76)59(87)88)72-52(80)42(29-36-31-63-32-66-36)70-54(82)45-17-9-23-73(45)55(83)40(15-8-22-64-60(61)62)68-53(81)44-16-10-24-74(44)56(84)43(28-35-30-65-38-14-7-6-13-37(35)38)71-51(79)41(27-33(2)3)69-50(78)39-20-21-48(77)67-39/h6-7,13-14,30-34,39-47,49,65H,5,8-12,15-29H2,1-4H3,(H,63,66)(H,67,77)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H,87,88)(H4,61,62,64)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1 |
| InChIKey | MBFLJUASZSNUPY-UAUAYLGKSA-N |
| Literature Reference Author | L.A.F.FERREIRA,H.AUER,E.HASLINGER,C.FEDELE,G.G.HABERMEHL |
| Literature Reference Citation | TOXICON,37,661(1999) |
| Literature Reference DOI | 10.1016/s0041-0101(98)00208-6 |
| Molecular Weight | 1223.443 g/mol |
| Sample ID | 73405 |
| Solvent | DMSO-D6 |