| SpectraBase Compound ID | 1990T4VJqSG |
|---|---|
| InChI | InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)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(48(65)59-42)23-26-75(5)73/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?,76?/m0/s1 |
| InChIKey | OPPHXUQOVAMNAS-KFJNJUQXSA-N |
| Mol Weight | 1084.4 g/mol |
| Molecular Formula | C55H73N9O10S2 |
| Exact Mass | 1083.492182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fFpR07IiRi |
|---|---|
| Name | CYCLOLINOPEPTIDE-F;CYCLO-(PRO-PHE-PHE-TRP-VAL-MSO-LEU-MSO) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H73N9O10S2 |
| InChI | InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)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(48(65)59-42)23-26-75(5)73/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?,76?/m0/s1 |
| InChIKey | OPPHXUQOVAMNAS-KFJNJUQXSA-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 | 1084.359 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2145 |