| SpectraBase Compound ID | 1SBXHJaLGf9 |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-17(2)6-5-7-18(3)22-12-13-23-21-11-9-19-8-10-20(28)16-27(19,25(29)30)24(21)14-15-26(22,23)4/h17-24,28H,5-16H2,1-4H3,(H,29,30)/t18-,19-,20-,21+,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | RJQLWAKJFQBWIM-QOJRDSLYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CiDvIUHpJxO |
|---|---|
| Name | 5.alpha.-Cholestan-19-oic acid, 2.beta.-hydroxy- |
| CAS Registry Number | 24637-59-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-17(2)6-5-7-18(3)22-12-13-23-21-11-9-19-8-10-20(28)16-27(19,25(29)30)24(21)14-15-26(22,23)4/h17-24,28H,5-16H2,1-4H3,(H,29,30)/t18-,19-,20-,21+,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | RJQLWAKJFQBWIM-QOJRDSLYSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | O[C@@]1(CC[C@@]2(CC[C@@]3([C@@]([C@@]2(C(=O)O)C1)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])[H] |
| SPLASH | splash10-0udi-0003900000-3327cfbf3f44a93149da |
| Source of Spectrum | O-4-379-13 |
| Synonyms | (2beta,5alpha)-2-hydroxycholestan-19-oic acid 2.beta.-hydroxy-19-carboxy-5.alpha.-cholestane |
| Wiley ID | 1377438 |