| SpectraBase Compound ID | 79IZaNzkYYE |
|---|---|
| InChI | InChI=1S/C87H140N6O13Si4/c1-56(2)107(57(3)4,58(5)6)103-73-43-38-68(39-44-73)50-76(89-81(95)79(106-110(65(19)20,66(21)22)67(23)24)51-69-40-45-74(46-41-69)104-108(59(7)8,60(9)10)61(11)12)82(96)93-77-53-75(105-109(62(13)14,63(15)16)64(17)18)47-42-72(77)52-78(93)80(94)91-87(25,83(97)100-26)48-33-49-92(86(99)102-55-71-36-31-28-32-37-71)84(88)90-85(98)101-54-70-34-29-27-30-35-70/h27-32,34-41,43-46,56-67,72,75-79H,33,42,47-55H2,1-26H3,(H,89,95)(H,91,94)(H2,88,90,98)/t72-,75+,76+,77-,78-,79+,87?/m0/s1 |
| InChIKey | TVTHTZYGUAZFMO-BAGMXFFNSA-N |
| Mol Weight | 1590.4 g/mol |
| Molecular Formula | C87H140N6O13Si4 |
| Exact Mass | 1588.955545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8rNMgDM1AH |
|---|---|
| Name | TIPS-O-D-HPLA(TIPS)-D-TYR(TIPS)-L-CHOI(TIPS)-L-ARG(ALPHA-METHYL-DELTA,OMEGA'-DI-CBZ)-OME |
| Compound Number | 22D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H140N6O13Si4 |
| InChI | InChI=1S/C87H140N6O13Si4/c1-56(2)107(57(3)4,58(5)6)103-73-43-38-68(39-44-73)50-76(89-81(95)79(106-110(65(19)20,66(21)22)67(23)24)51-69-40-45-74(46-41-69)104-108(59(7)8,60(9)10)61(11)12)82(96)93-77-53-75(105-109(62(13)14,63(15)16)64(17)18)47-42-72(77)52-78(93)80(94)91-87(25,83(97)100-26)48-33-49-92(86(99)102-55-71-36-31-28-32-37-71)84(88)90-85(98)101-54-70-34-29-27-30-35-70/h27-32,34-41,43-46,56-67,72,75-79H,33,42,47-55H2,1-26H3,(H,89,95)(H,91,94)(H2,88,90,98)/t72-,75+,76+,77-,78-,79+,87?/m0/s1 |
| InChIKey | TVTHTZYGUAZFMO-BAGMXFFNSA-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 | 1590.443 g/mol |
| Sample ID | 50518 |
| Solvent | CDCl3 |