| SpectraBase Compound ID | BWExM6QSVhn |
|---|---|
| InChI | InChI=1S/C29H52O4S/c1-19(2)9-8-10-20(3)23-11-12-24-26-25(14-16-28(23,24)5)27(4)15-13-22(30)17-21(27)18-29(26,6)33-34(7,31)32/h19-26,30H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | QGPILVXWSNSHFS-AXZYELSWSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C29H52O4S |
| Exact Mass | 496.358631 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1xx3nQvzOo4 |
|---|---|
| Name | (3.beta.,5.alpha.,7.alpha.)-7-Methylcholestan-3,7-diol Methanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O4S |
| InChI | InChI=1S/C29H52O4S/c1-19(2)9-8-10-20(3)23-11-12-24-26-25(14-16-28(23,24)5)27(4)15-13-22(30)17-21(27)18-29(26,6)33-34(7,31)32/h19-26,30H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | QGPILVXWSNSHFS-AXZYELSWSA-N |
| Molecular Weight | 496.791 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@](OS(=O)(=O)C)(C[C@]2(C1)[H])C)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-05o0-9002000000-618b8b8acaf243bd3a53 |
| Source of Spectrum | J-61-863-1 |
| Wiley ID | 1398298 |