| SpectraBase Spectrum ID |
6pHPJGq7Nhe |
| Name |
3.beta.-Cholestanol Methylsulfinate |
| Alternate Name(s) |
(3beta)-cholestan-3-yl methanesulfinate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H50O2S |
| InChI |
InChI=1S/C28H50O2S/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/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27+,28-,31?/m1/s1 |
| InChIKey |
ZOVSCKPHQASGHE-CQQLCQSYSA-N |
| Molecular Weight |
450.766 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4[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 |
splash10-0a4i-9020000000-d2eb4969c0e707d7b992 |
| Source of Spectrum |
F-47-9176-5 |
| Wiley ID |
1387831 |
