| SpectraBase Compound ID | CvFIO5W2gQc |
|---|---|
| InChI | InChI=1S/C43H56N8O8/c1-24(2)19-31-38(54)48-33(21-27-22-44-30-10-6-5-9-29(27)30)42(58)50-17-7-11-34(50)40(56)45-23-36(53)46-32(20-26-13-15-28(52)16-14-26)39(55)49-37(25(3)4)43(59)51-18-8-12-35(51)41(57)47-31/h5-6,9-10,13-16,22,24-25,31-35,37,44,52H,7-8,11-12,17-21,23H2,1-4H3,(H,45,56)(H,46,53)(H,47,57)(H,48,54)(H,49,55) |
| InChIKey | PFLNHBDSHKCNNW-UHFFFAOYSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C43H56N8O8 |
| Exact Mass | 812.422111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RJuyy52W3B |
|---|---|
| Name | SEGETALIN-E;CYCLO-(-GLY-TYR-VAL-PRO-LEU-TRP-PRO-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H56N8O8 |
| InChI | InChI=1S/C43H56N8O8/c1-24(2)19-31-38(54)48-33(21-27-22-44-30-10-6-5-9-29(27)30)42(58)50-17-7-11-34(50)40(56)45-23-36(53)46-32(20-26-13-15-28(52)16-14-26)39(55)49-37(25(3)4)43(59)51-18-8-12-35(51)41(57)47-31/h5-6,9-10,13-16,22,24-25,31-35,37,44,52H,7-8,11-12,17-21,23H2,1-4H3,(H,45,56)(H,46,53)(H,47,57)(H,48,54)(H,49,55) |
| InChIKey | PFLNHBDSHKCNNW-UHFFFAOYSA-N |
| Literature Reference Author | H.MORITA,Y.S.YUN,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,883(1997) |
| Literature Reference DOI | 10.1248/cpb.45.883 |
| Molecular Weight | 812.966 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN28841 |