| SpectraBase Compound ID | JP5tmfezdUs |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20?,22?,23?,24?,25?,27-,28-,29-/m1/s1 |
| InChIKey | IWNCBADONFSAAW-HQCUGCCKSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6EoD7VGIkEJ |
|---|---|
| Name | 6-.beta.-Hydroxy-,beta.-sitosterone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20?,22?,23?,24?,25?,27-,28-,29-/m1/s1 |
| InChIKey | IWNCBADONFSAAW-HQCUGCCKSA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | O[C@]1(C=2[C@@](C3C(C4CCC([C@]4(CC3)C)[C@@](CCC(C(C)C)CC)(C)[H])C1)(CCC(=O)C2)C)[H] |
| SPLASH | splash10-0fb9-0310900000-785391a62cafb38499f2 |
| Source of Spectrum | QA-44-319-34 |
| Wiley ID | 862448 |