![5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-[(1S)-1-METHYLPROPYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL](/api/spectrum/C1N96uGcxtT/structure.png?h=300&w=458 "5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-[(1S)-1-METHYLPROPYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL")
| SpectraBase Compound ID | 26yJiQQFrSO |
|---|---|
| InChI | InChI=1S/C48H64N2O8S2/c1-13-31(5)41-27-57-45(49(41)59(53,54)35-19-15-29(3)16-20-35)39-25-33(47(7,8)9)23-37(43(39)51)38-24-34(48(10,11)12)26-40(44(38)52)46-50(42(28-58-46)32(6)14-2)60(55,56)36-21-17-30(4)18-22-36/h15-26,31-32,41-42,45-46,51-52H,13-14,27-28H2,1-12H3/t31-,32-,41+,42+,45-,46-/m0/s1 |
| InChIKey | SMERGWDMRAHTGD-JNANQMQGSA-N |
| Mol Weight | 861.2 g/mol |
| Molecular Formula | C48H64N2O8S2 |
| Exact Mass | 860.410409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1N96uGcxtT |
|---|---|
| Name | 5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-[(1S)-1-METHYLPROPYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H64N2O8S2 |
| InChI | InChI=1S/C48H64N2O8S2/c1-13-31(5)41-27-57-45(49(41)59(53,54)35-19-15-29(3)16-20-35)39-25-33(47(7,8)9)23-37(43(39)51)38-24-34(48(10,11)12)26-40(44(38)52)46-50(42(28-58-46)32(6)14-2)60(55,56)36-21-17-30(4)18-22-36/h15-26,31-32,41-42,45-46,51-52H,13-14,27-28H2,1-12H3/t31-,32-,41+,42+,45-,46-/m0/s1 |
| InChIKey | SMERGWDMRAHTGD-JNANQMQGSA-N |
| Literature Reference Author | S.WUNNEMANN,R.FROEHLICH,D.HOPPE |
| Literature Reference Citation | ORG.LETTERS,8,2455(2006) |
| Literature Reference DOI | 10.1021/ol060528u |
| Molecular Weight | 861.165 g/mol |
| Sample ID | 59134 |
| Solvent | CDCl3 |