| SpectraBase Compound ID | 3aF00Yakfhh |
|---|---|
| InChI | InChI=1S/C34H52O4S/c1-23(2)7-6-8-25(4)30-15-16-31-29-14-11-26-21-27(38-39(36,37)28-12-9-24(3)10-13-28)17-20-34(26,22-35)32(29)18-19-33(30,31)5/h9-13,23,25,27,29-32,35H,6-8,14-22H2,1-5H3 |
| InChIKey | GVZRUUZYFRABOF-UHFFFAOYSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O4S |
| Exact Mass | 556.358631 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6voJ8aFOw0e |
|---|---|
| Name | Cholest-5-ene-3.beta.,19-diol, 3-p-toluenesulfonate |
| CAS Registry Number | 21072-66-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52O4S |
| InChI | InChI=1S/C34H52O4S/c1-23(2)7-6-8-25(4)30-15-16-31-29-14-11-26-21-27(38-39(36,37)28-12-9-24(3)10-13-28)17-20-34(26,22-35)32(29)18-19-33(30,31)5/h9-13,23,25,27,29-32,35H,6-8,14-22H2,1-5H3 |
| InChIKey | GVZRUUZYFRABOF-UHFFFAOYSA-N |
| Molecular Weight | 556.846 g/mol |
| SMILES | OCC12CCC(CC2=CCC2C3CCC(C(C)CCCC(C)C)C3(C)CCC12)OS(c1ccc(C)cc1)(=O)=O |
| SPLASH | splash10-0j4j-0195000000-9ef43713eddadd19e8e3 |
| Source of Spectrum | T-68-5798-0 |
| Synonyms | 19-Hydroxycholest-5-en-3-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [10-(hydroxymethyl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1,5-dimethylhexyl)-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate [10-(hydroxymethyl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate |
| Wiley ID | 1406427 |