| SpectraBase Compound ID | 6whfRzwlgzA |
|---|---|
| InChI | InChI=1S/C38H56N8O9/c1-7-21(4)31-36(53)42-26(18-24-12-14-25(47)15-13-24)33(50)41-23(6)37(54)45-16-8-10-27(45)34(51)39-19-29(48)40-22(5)32(49)43-30(20(2)3)38(55)46-17-9-11-28(46)35(52)44-31/h12-15,20-23,26-28,30-31,47H,7-11,16-19H2,1-6H3,(H,39,51)(H,40,48)(H,41,50)(H,42,53)(H,43,49)(H,44,52)/t21?,22-,23-,26-,27-,28-,30-,31-/m0/s1 |
| InChIKey | RCLUPZYCRSJKQW-TWTGPFRKSA-N |
| Mol Weight | 768.9 g/mol |
| Molecular Formula | C38H56N8O9 |
| Exact Mass | 768.417025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsdZ3RDtNbq |
|---|---|
| Name | CHERIMOLACYCLOPEPTIDE-G;CYCLO-[PRO(1)-GLY(2)-ALA(3)-VAL(4)-PRO(5)-ILE(6)-TYR(7)-ALA(8)] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56N8O9 |
| InChI | InChI=1S/C38H56N8O9/c1-7-21(4)31-36(53)42-26(18-24-12-14-25(47)15-13-24)33(50)41-23(6)37(54)45-16-8-10-27(45)34(51)39-19-29(48)40-22(5)32(49)43-30(20(2)3)38(55)46-17-9-11-28(46)35(52)44-31/h12-15,20-23,26-28,30-31,47H,7-11,16-19H2,1-6H3,(H,39,51)(H,40,48)(H,41,50)(H,42,53)(H,43,49)(H,44,52)/t21?,22-,23-,26-,27-,28-,30-,31-/m0/s1 |
| InChIKey | RCLUPZYCRSJKQW-TWTGPFRKSA-N |
| Literature Reference Author | A.WELE,Y.ZHANG,L.DUBOST,J.L.POUSSET,B.BODO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,690(2006) |
| Literature Reference DOI | 10.1248/cpb.54.690 |
| Molecular Weight | 768.911 g/mol |
| Sample ID | 36898 |
| Solvent | C5D5N |