| SpectraBase Compound ID | GP69AVBtvnk |
|---|---|
| InChI | InChI=1S/C34H52O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3/t25?,27-,29?,30+,31?,32?,33-,34+/m0/s1 |
| InChIKey | RNZDACWUXZHQMI-FFJDWMOCSA-N |
| Mol Weight | 540.8 g/mol |
| Molecular Formula | C34H52O3S |
| Exact Mass | 540.363717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTuGQqphdA7 |
|---|---|
| Name | 3-BETA-TOSYLOXYCHOLEST-5-ENE;CHOLESTERYL-TOLUENE-P-SULFONATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O3S |
| InChI | InChI=1S/C34H52O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3/t25?,27-,29?,30+,31?,32?,33-,34+/m0/s1 |
| InChIKey | RNZDACWUXZHQMI-FFJDWMOCSA-N |
| Literature Reference Author | H.J.BUCHANAN,P.J.COX,S.M.S.V.DOIDGE-HARRISON,R.A.HOWIE,M.JAS PARS,J.L.WARDELL |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3657(1997) |
| Literature Reference DOI | 10.1039/a703596i |
| Molecular Weight | 540.845 g/mol |
| Solvent | CDCl3 |