| SpectraBase Compound ID | 830ODAZlFmG |
|---|---|
| InChI | InChI=1S/C70H77N11O16SSi/c1-42(2)60(83)75-68-73-58-54(62(85)77-68)71-40-80(58)65-57(97-67(87)46-22-14-9-15-23-46)50(38-93-66(86)45-20-12-8-13-21-45)53(96-65)34-37-98(90,91)39-51-52(33-36-94-99(70(5,6)7,48-24-16-10-17-25-48)49-26-18-11-19-27-49)95-64(56(51)82)79-41-72-55-59(79)74-69(76-61(84)43(3)4)78-63(55)92-35-32-44-28-30-47(31-29-44)81(88)89/h8-31,40-43,50-53,56-57,64-65,82H,32-39H2,1-7H3,(H,74,76,78,84)(H2,73,75,77,83,85)/t50-,51+,52+,53-,56+,57-,64+,65-/m1/s1 |
| InChIKey | MWCZGRSBWIAJQV-MHDVGIFFSA-N |
| Mol Weight | 1388.6 g/mol |
| Molecular Formula | C70H77N11O16SSi |
| Exact Mass | 1387.503973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbqUOx3pRpC |
|---|---|
| Name | MWCZGRSBWIAJQV-MHDVGIFFSA-N |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H77N11O16SSi |
| InChI | InChI=1S/C70H77N11O16SSi/c1-42(2)60(83)75-68-73-58-54(62(85)77-68)71-40-80(58)65-57(97-67(87)46-22-14-9-15-23-46)50(38-93-66(86)45-20-12-8-13-21-45)53(96-65)34-37-98(90,91)39-51-52(33-36-94-99(70(5,6)7,48-24-16-10-17-25-48)49-26-18-11-19-27-49)95-64(56(51)82)79-41-72-55-59(79)74-69(76-61(84)43(3)4)78-63(55)92-35-32-44-28-30-47(31-29-44)81(88)89/h8-31,40-43,50-53,56-57,64-65,82H,32-39H2,1-7H3,(H,74,76,78,84)(H2,73,75,77,83,85)/t50-,51+,52+,53-,56+,57-,64+,65-/m1/s1 |
| InChIKey | MWCZGRSBWIAJQV-MHDVGIFFSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 1388.591 g/mol |
| Sample ID | 57105 |
| Solvent | CDCl3 |