| SpectraBase Compound ID | ECNIZbrLCQn |
|---|---|
| InChI | InChI=1S/C35H54O4S/c1-24(2)8-7-9-26(4)31-16-17-32-30-15-12-27-22-28(39-40(36,37)29-13-10-25(3)11-14-29)18-21-35(27,23-38-6)33(30)19-20-34(31,32)5/h10-14,24,26,28,30-33H,7-9,15-23H2,1-6H3 |
| InChIKey | VVJMYDIIEACKKB-UHFFFAOYSA-N |
| Mol Weight | 570.9 g/mol |
| Molecular Formula | C35H54O4S |
| Exact Mass | 570.374281 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9DzlpcK8lLi |
|---|---|
| Name | Cholest-5-en-3.beta.-ol, 19-methoxy-, p-toluenesulfonate |
| CAS Registry Number | 1110-53-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H54O4S |
| InChI | InChI=1S/C35H54O4S/c1-24(2)8-7-9-26(4)31-16-17-32-30-15-12-27-22-28(39-40(36,37)29-13-10-25(3)11-14-29)18-21-35(27,23-38-6)33(30)19-20-34(31,32)5/h10-14,24,26,28,30-33H,7-9,15-23H2,1-6H3 |
| InChIKey | VVJMYDIIEACKKB-UHFFFAOYSA-N |
| Molecular Weight | 570.873 g/mol |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OC1CCC2(COC)C3CCC4(C)C(CCC4C(C)CCCC(C)C)C3CC=C2C1 |
| SPLASH | splash10-0uxr-0094000000-7ebad44ec58138bd2138 |
| Source of Spectrum | T-68-5820-0 |
| Synonyms | 19-Methoxycholest-5-en-3-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [10-(methoxymethyl)-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-(methoxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate [10-(methoxymethyl)-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 | 1407739 |