| SpectraBase Compound ID | GjLQmXnLDxk |
|---|---|
| InChI | InChI=1S/C31H48O3S/c1-22-10-13-25(14-11-22)35(32,33)34-21-7-8-23(2)27-16-17-28-26-15-12-24-9-5-6-19-30(24,3)29(26)18-20-31(27,28)4/h10-11,13-14,23-24,26-29H,5-9,12,15-21H2,1-4H3/t23-,24+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IRQUKJRWIAZSEU-OMMWMSRCSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C31H48O3S |
| Exact Mass | 500.332417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITkvXiYzG3F |
|---|---|
| Name | 5-BETA-CHOLAN-24-YL-TOSYLATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3S |
| InChI | InChI=1S/C31H48O3S/c1-22-10-13-25(14-11-22)35(32,33)34-21-7-8-23(2)27-16-17-28-26-15-12-24-9-5-6-19-30(24,3)29(26)18-20-31(27,28)4/h10-11,13-14,23-24,26-29H,5-9,12,15-21H2,1-4H3/t23-,24+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IRQUKJRWIAZSEU-OMMWMSRCSA-N |
| Literature Reference Author | L.NAHAR,S.D.SARKER,A.B.TURNER |
| Literature Reference Citation | ACTA.PHARM.,56,369(2006) |
| Molecular Weight | 500.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU79064 |