| SpectraBase Compound ID | Btxxgj3Ngmq |
|---|---|
| InChI | InChI=1S/C86H138N6O13Si4/c1-55(2)106(56(3)4,57(5)6)102-72-43-38-67(39-44-72)49-76(89-81(94)79(105-109(64(19)20,65(21)22)66(23)24)50-68-40-45-73(46-41-68)103-107(58(7)8,59(9)10)60(11)12)82(95)92-77-52-74(104-108(61(13)14,62(15)16)63(17)18)47-42-71(77)51-78(92)80(93)88-75(83(96)99-25)37-32-48-91(86(98)101-54-70-35-30-27-31-36-70)84(87)90-85(97)100-53-69-33-28-26-29-34-69/h26-31,33-36,38-41,43-46,55-66,71,74-79H,32,37,42,47-54H2,1-25H3,(H,88,93)(H,89,94)(H2,87,90,97)/t71-,74+,75+,76+,77-,78-,79+/m0/s1 |
| InChIKey | GTTKKNONFCRERB-XWLPDELMSA-N |
| Mol Weight | 1576.4 g/mol |
| Molecular Formula | C86H138N6O13Si4 |
| Exact Mass | 1574.939895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eAZPhHNlvW |
|---|---|
| Name | TIPS-O-D-HPLA(TIPS)-D-TYR(TIPS)-L-CHOI(TIPS)-L-ARG(DELTA,OMEGA'-DI-CBZ)-OME |
| Compound Number | 22B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H138N6O13Si4 |
| InChI | InChI=1S/C86H138N6O13Si4/c1-55(2)106(56(3)4,57(5)6)102-72-43-38-67(39-44-72)49-76(89-81(94)79(105-109(64(19)20,65(21)22)66(23)24)50-68-40-45-73(46-41-68)103-107(58(7)8,59(9)10)60(11)12)82(95)92-77-52-74(104-108(61(13)14,62(15)16)63(17)18)47-42-71(77)51-78(92)80(93)88-75(83(96)99-25)37-32-48-91(86(98)101-54-70-35-30-27-31-36-70)84(87)90-85(97)100-53-69-33-28-26-29-34-69/h26-31,33-36,38-41,43-46,55-66,71,74-79H,32,37,42,47-54H2,1-25H3,(H,88,93)(H,89,94)(H2,87,90,97)/t71-,74+,75+,76+,77-,78-,79+/m0/s1 |
| InChIKey | GTTKKNONFCRERB-XWLPDELMSA-N |
| Literature Reference Author | T.OHSHIMA.V.GNANADESIKAN,T.SHIBUGUCHHI,Y.FUKUTA,T.NEMOTO,M.S HIBASAKI |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,11206(2003) |
| Literature Reference DOI | 10.1021/ja037290e |
| Molecular Weight | 1576.416 g/mol |
| Sample ID | 50516 |
| Solvent | CDCl3 |