| SpectraBase Compound ID | 4PL5WPUwTfE |
|---|---|
| InChI | InChI=1S/C48H55N7O11S2Si/c1-30(56)67-26-34-37(66-45(40(34)58)54-23-20-38(57)52-47(54)61)22-25-68(62,63)27-35-36(21-24-64-69(48(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33)65-46(41(35)59)55-29-51-39-42(49-28-50-43(39)55)53-44(60)31-14-8-5-9-15-31/h5-20,23,28-29,34-37,40-41,45-46,58-59H,21-22,24-27H2,1-4H3,(H,52,57,61)(H,49,50,53,60)/t34-,35+,36+,37-,40-,41+,45-,46+/m1/s1 |
| InChIKey | SOJMHDVHLLVMMP-QDNNOEQOSA-N |
| Mol Weight | 998.2 g/mol |
| Molecular Formula | C48H55N7O11S2Si |
| Exact Mass | 997.317024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWXaOCM8t2W |
|---|---|
| Name | SOJMHDVHLLVMMP-QDNNOEQOSA-N |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H55N7O11S2Si |
| InChI | InChI=1S/C48H55N7O11S2Si/c1-30(56)67-26-34-37(66-45(40(34)58)54-23-20-38(57)52-47(54)61)22-25-68(62,63)27-35-36(21-24-64-69(48(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33)65-46(41(35)59)55-29-51-39-42(49-28-50-43(39)55)53-44(60)31-14-8-5-9-15-31/h5-20,23,28-29,34-37,40-41,45-46,58-59H,21-22,24-27H2,1-4H3,(H,52,57,61)(H,49,50,53,60)/t34-,35+,36+,37-,40-,41+,45-,46+/m1/s1 |
| InChIKey | SOJMHDVHLLVMMP-QDNNOEQOSA-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 | 998.210 g/mol |
| Sample ID | 57109 |
| Solvent | CDCl3 |