| SpectraBase Compound ID | 3uo4kd4e9HG |
|---|---|
| InChI | InChI=1S/C28H48O2S/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-31(6)29)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,31?/m1/s1 |
| InChIKey | RSMCYIIICKDAPT-ASRIKGTLSA-N |
| Mol Weight | 448.8 g/mol |
| Molecular Formula | C28H48O2S |
| Exact Mass | 448.337502 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KgWadj4qQF5 |
|---|---|
| Name | 3.beta.-Cholesterol Methylsulfinate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O2S |
| InChI | InChI=1S/C28H48O2S/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-31(6)29)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,31?/m1/s1 |
| InChIKey | RSMCYIIICKDAPT-ASRIKGTLSA-N |
| Molecular Weight | 448.750 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OS(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-014i-0009000000-32ac4be7f542b7c6004e |
| Source of Spectrum | F-47-9176-5 |
| Synonyms | (3beta)-cholest-5-en-3-yl methanesulfinate |
| Wiley ID | 1387322 |