| SpectraBase Compound ID | 3nuHdEiVWJO |
|---|---|
| InChI | InChI=1S/C36H54O5S/c1-24(2)8-7-9-26(4)32-16-17-33-31-15-12-28-22-29(41-27(5)37)18-21-36(28,34(31)19-20-35(32,33)6)23-40-42(38,39)30-13-10-25(3)11-14-30/h10-14,24,26,29,31-34H,7-9,15-23H2,1-6H3/t26-,29+,31+,32-,33+,34+,35-,36-/m1/s1 |
| InChIKey | CGWSIECQYXYNSI-IQEQYFDLSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C36H54O5S |
| Exact Mass | 598.369196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NreonTKct7 |
|---|---|
| Name | CHOLEST-5-ENE-3-BETA,19-DIOL-3-ACETATE-19-PARA-TOLUENESULFONATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O5S |
| InChI | InChI=1S/C36H54O5S/c1-24(2)8-7-9-26(4)32-16-17-33-31-15-12-28-22-29(41-27(5)37)18-21-36(28,34(31)19-20-35(32,33)6)23-40-42(38,39)30-13-10-25(3)11-14-30/h10-14,24,26,29,31-34H,7-9,15-23H2,1-6H3/t26-,29+,31+,32-,33+,34+,35-,36-/m1/s1 |
| InChIKey | CGWSIECQYXYNSI-IQEQYFDLSA-N |
| Literature Reference Author | K.N.SCOTT,T.H.MARECI |
| Literature Reference Citation | CAN.J.CHEM.,57,27(1979) |
| Literature Reference DOI | 10.1139/v79-005 |
| Molecular Weight | 598.882 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED971 |