| SpectraBase Compound ID | HDwiZeYVLl3 |
|---|---|
| InChI | InChI=1S/C34H50O4S/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/h9-13,22-23,25,27,29-32H,6-8,14-21H2,1-5H3 |
| InChIKey | BHAMBEHLGAZLHV-UHFFFAOYSA-N |
| Mol Weight | 554.8 g/mol |
| Molecular Formula | C34H50O4S |
| Exact Mass | 554.342981 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | coawkC0G1p |
|---|---|
| Name | Cholest-5-en-19-al, 3.beta.-hydroxy-, p-toluenesulfonate |
| CAS Registry Number | 3865-49-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O4S |
| InChI | InChI=1S/C34H50O4S/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/h9-13,22-23,25,27,29-32H,6-8,14-21H2,1-5H3 |
| InChIKey | BHAMBEHLGAZLHV-UHFFFAOYSA-N |
| Molecular Weight | 554.830 g/mol |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4C(C)CCCC(C)C)C3CC=C2C1 |
| SPLASH | splash10-0w29-0097000000-4a886d3b1bfcc6e86ca3 |
| Source of Spectrum | T-68-5797-0 |
| Synonyms | 19-Oxocholest-5-en-3-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [10-formyl-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 [10-formyl-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 [17-(1,5-dimethylhexyl)-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate [10-methanoyl-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 | 1406234 |