| SpectraBase Compound ID | CHGvmDgLJpn |
|---|---|
| InChI | InChI=1S/C32H48O5S/c1-21-6-10-25(11-7-21)38(34,35)37-24-16-18-31(3)23(20-24)9-12-26-28-14-13-27(22(2)8-15-30(33)36-5)32(28,4)19-17-29(26)31/h6-7,10-11,22-24,26-29H,8-9,12-20H2,1-5H3/t22-,23-,24-,26+,27-,28+,29+,31+,32-/m1/s1 |
| InChIKey | SGOAEXLCEMXQRZ-SDHATHHKSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C32H48O5S |
| Exact Mass | 544.322246 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsvNzHvBmyi |
|---|---|
| Name | METHYL-3-ALPHA-TOSYLOXY-5-BETA-CHOLAN-24-OATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O5S |
| InChI | InChI=1S/C32H48O5S/c1-21-6-10-25(11-7-21)38(34,35)37-24-16-18-31(3)23(20-24)9-12-26-28-14-13-27(22(2)8-15-30(33)36-5)32(28,4)19-17-29(26)31/h6-7,10-11,22-24,26-29H,8-9,12-20H2,1-5H3/t22-,23-,24-,26+,27-,28+,29+,31+,32-/m1/s1 |
| InChIKey | SGOAEXLCEMXQRZ-SDHATHHKSA-N |
| Literature Reference Author | A.M.SELDES,M.E.DELUCA,E.G.GROS |
| Literature Reference Citation | MAGN.RES.CHEM.,24,185(1986) |
| Literature Reference DOI | 10.1002/mrc.1260240302 |
| Molecular Weight | 544.790 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW18342 |