| SpectraBase Compound ID | JZNUS0FXHcV |
|---|---|
| InChI | InChI=1S/C55H73N9O9S2/c1-33(2)28-42-49(66)58-41(24-27-75(6)73)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(23-26-74-5)48(65)59-42/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42+,43-,44+,45+,46-,47-,75?/m1/s1 |
| InChIKey | GJIDPIIOUZERFG-UJUROURBSA-N |
| Mol Weight | 1068.4 g/mol |
| Molecular Formula | C55H73N9O9S2 |
| Exact Mass | 1067.497267 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7eSBU7FYwl |
|---|---|
| Name | CYCLOLINOPEPTIDE-I;CYCLO-(PRO-PHE-PHE-TRP-VAL-MET-LEU-MSO) |
| CAS Registry Number | 351417-18-0 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H73N9O9S2 |
| InChI | InChI=1S/C55H73N9O9S2/c1-33(2)28-42-49(66)58-41(24-27-75(6)73)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(23-26-74-5)48(65)59-42/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42+,43-,44+,45+,46-,47-,75?/m1/s1 |
| InChIKey | GJIDPIIOUZERFG-UJUROURBSA-N |
| Literature Reference Author | T.MATSUMOTO,A.SHISHIDO,H.MORITA,H.ITOKAWA,K.TAKEYA |
| Literature Reference Citation | PHYTOCHEM.,57,251(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00442-8 |
| Molecular Weight | 1068.360 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2148 |