| SpectraBase Compound ID | 6M4lbi8gdkl |
|---|---|
| InChI | InChI=1S/C49H53N7O12S/c1-29-11-21-37(22-12-29)69(62,63)54-46(50-25-40-39(57)24-43(67-40)56-27-31(3)45(59)53-48(56)61)51-38-23-42(55-26-30(2)44(58)52-47(55)60)68-41(38)28-66-49(32-9-7-6-8-10-32,33-13-17-35(64-4)18-14-33)34-15-19-36(65-5)20-16-34/h6-22,26-27,38-43,57H,23-25,28H2,1-5H3,(H2,50,51,54)(H,52,58,60)(H,53,59,61)/t38-,39+,40-,41+,42+,43-/m1/s1 |
| InChIKey | SGBMPTNTPOTDDP-CLXZVIBRSA-N |
| Mol Weight | 964.1 g/mol |
| Molecular Formula | C49H53N7O12S |
| Exact Mass | 963.347291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rZZT5D0lD2 |
|---|---|
| Name | SGBMPTNTPOTDDP-CLXZVIBRSA-N |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H53N7O12S |
| InChI | InChI=1S/C49H53N7O12S/c1-29-11-21-37(22-12-29)69(62,63)54-46(50-25-40-39(57)24-43(67-40)56-27-31(3)45(59)53-48(56)61)51-38-23-42(55-26-30(2)44(58)52-47(55)60)68-41(38)28-66-49(32-9-7-6-8-10-32,33-13-17-35(64-4)18-14-33)34-15-19-36(65-5)20-16-34/h6-22,26-27,38-43,57H,23-25,28H2,1-5H3,(H2,50,51,54)(H,52,58,60)(H,53,59,61)/t38-,39+,40-,41+,42+,43-/m1/s1 |
| InChIKey | SGBMPTNTPOTDDP-CLXZVIBRSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 964.060 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6720 |