| SpectraBase Compound ID | 3YwmPvA7VlD |
|---|---|
| InChI | InChI=1S/C31H48O4S/c1-21-7-10-25(11-8-21)36(33,34)35-24-15-17-30(3)23(20-24)9-12-26-28-14-13-27(22(2)6-5-19-32)31(28,4)18-16-29(26)30/h7-8,10-11,22-24,26-29,32H,5-6,9,12-20H2,1-4H3/t22-,23-,24-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | HZOAHWBSFFLCJV-QJYWVAHUSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C31H48O4S |
| Exact Mass | 516.327331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAImJojPVGq |
|---|---|
| Name | 3-ALPHA-TOSYLOXY-5-BETA-CHOLAN-24-OL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O4S |
| InChI | InChI=1S/C31H48O4S/c1-21-7-10-25(11-8-21)36(33,34)35-24-15-17-30(3)23(20-24)9-12-26-28-14-13-27(22(2)6-5-19-32)31(28,4)18-16-29(26)30/h7-8,10-11,22-24,26-29,32H,5-6,9,12-20H2,1-4H3/t22-,23-,24-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | HZOAHWBSFFLCJV-QJYWVAHUSA-N |
| Literature Reference Author | L.NAHAR,S.D.SARKER,A.B.TURNER |
| Literature Reference Citation | ACTA.PHARM.,56,369(2006) |
| Molecular Weight | 516.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU79062 |