| SpectraBase Compound ID | JeWX7eqfX7W |
|---|---|
| InChI | InChI=1S/C85H138N6O12Si4/c1-55(2)104(56(3)4,57(5)6)100-73-42-37-67(38-43-73)48-76(88-81(94)79(103-107(64(19)20,65(21)22)66(23)24)49-68-39-44-74(45-40-68)101-105(58(7)8,59(9)10)60(11)12)82(95)91-77-51-75(102-106(61(13)14,62(15)16)63(17)18)46-41-71(77)50-78(91)80(93)87-72(52-92)36-31-47-90(85(97)99-54-70-34-29-26-30-35-70)83(86)89-84(96)98-53-69-32-27-25-28-33-69/h25-30,32-35,37-40,42-45,55-66,71-72,75-79,92H,31,36,41,46-54H2,1-24H3,(H,87,93)(H,88,94)(H2,86,89,96)/t71-,72-,75+,76+,77-,78-,79+/m0/s1 |
| InChIKey | OLBDRXWWOMCEBS-LXFZNLNSSA-N |
| Mol Weight | 1548.4 g/mol |
| Molecular Formula | C85H138N6O12Si4 |
| Exact Mass | 1546.94498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wCO9UxYDWA |
|---|---|
| Name | TIPS-O-D-HPLA(TIPS)-D-TYR(TIPS)-L-CHOI(TIPS)-L-ARGOL(DELTA,OMEGA'-DI-CBZ)-OME |
| Compound Number | 23B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H138N6O12Si4 |
| InChI | InChI=1S/C85H138N6O12Si4/c1-55(2)104(56(3)4,57(5)6)100-73-42-37-67(38-43-73)48-76(88-81(94)79(103-107(64(19)20,65(21)22)66(23)24)49-68-39-44-74(45-40-68)101-105(58(7)8,59(9)10)60(11)12)82(95)91-77-51-75(102-106(61(13)14,62(15)16)63(17)18)46-41-71(77)50-78(91)80(93)87-72(52-92)36-31-47-90(85(97)99-54-70-34-29-26-30-35-70)83(86)89-84(96)98-53-69-32-27-25-28-33-69/h25-30,32-35,37-40,42-45,55-66,71-72,75-79,92H,31,36,41,46-54H2,1-24H3,(H,87,93)(H,88,94)(H2,86,89,96)/t71-,72-,75+,76+,77-,78-,79+/m0/s1 |
| InChIKey | OLBDRXWWOMCEBS-LXFZNLNSSA-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 | 1548.406 g/mol |
| Sample ID | 50520 |
| Solvent | CDCl3 |