| SpectraBase Compound ID | 3p23aAo6mf8 |
|---|---|
| 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 |
| InChIKey | CGWSIECQYXYNSI-UHFFFAOYSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C36H54O5S |
| Exact Mass | 598.369196 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ChMuwXgL93N |
|---|---|
| Name | Cholest-5-ene-3,19-diol, 3-acetate 19-(4-methylbenzenesulfonate), (3.beta.)- |
| CAS Registry Number | 21072-69-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| InChIKey | CGWSIECQYXYNSI-UHFFFAOYSA-N |
| Molecular Weight | 598.883 g/mol |
| SMILES | c1(S(=O)(=O)OCC23C4C(C5C(C(CC5)C(CCCC(C)C)C)(C)CC4)CC=C2CC(OC(C)=O)CC3)ccc(C)cc1 |
| SPLASH | splash10-014i-0159100000-f80e720e55df172d0076 |
| Source of Spectrum | T-68-5845-0 |
| Synonyms | Cholest-5-ene-3.beta.,19-diol, 3-acetate p-toluenesulfonate Acetic acid [13-methyl-17-(6-methylheptan-2-yl)-10-[(4-methylphenyl)sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [13-methyl-17-(6-methylheptan-2-yl)-10-[(4-methylphenyl)sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-13-methyl-10-(p-tolylsulfonyloxymethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [13-methyl-17-(6-methylheptan-2-yl)-10-[(4-methylphenyl)sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate NSC 174354 |
| Wiley ID | 1409992 |