![3-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-5.alpha.-cholest-2-ene-1-one](/api/spectrum/FvuQIg3gBUD/structure.png?h=300&w=458 "3-[3'-(5\",5\"-Dimethyl-1\",3\"-dioxane-2\"-yl)propyl]-5.alpha.-cholest-2-ene-1-one")
| SpectraBase Compound ID | Djm5Dj8yyoZ |
|---|---|
| InChI | InChI=1S/C36H60O3/c1-24(2)10-8-11-25(3)29-16-17-30-28-15-14-27-20-26(12-9-13-33-38-22-34(4,5)23-39-33)21-32(37)36(27,7)31(28)18-19-35(29,30)6/h21,24-25,27-31,33H,8-20,22-23H2,1-7H3/t25-,27+,28+,29-,30+,31+,35-,36+/m1/s1 |
| InChIKey | IGWWUQNXNQKYDQ-MFJVTZOKSA-N |
| Mol Weight | 540.9 g/mol |
| Molecular Formula | C36H60O3 |
| Exact Mass | 540.454246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FvuQIg3gBUD |
|---|---|
| Name | 3-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-5.alpha.-cholest-2-ene-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H60O3 |
| InChI | InChI=1S/C36H60O3/c1-24(2)10-8-11-25(3)29-16-17-30-28-15-14-27-20-26(12-9-13-33-38-22-34(4,5)23-39-33)21-32(37)36(27,7)31(28)18-19-35(29,30)6/h21,24-25,27-31,33H,8-20,22-23H2,1-7H3/t25-,27+,28+,29-,30+,31+,35-,36+/m1/s1 |
| InChIKey | IGWWUQNXNQKYDQ-MFJVTZOKSA-N |
| Molecular Weight | 540.873 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(CCCC2OCC(CO2)(C)C)=CC1=O)[H])[H])C |
| SPLASH | splash10-002f-0600390000-6735dbf15f12f1684077 |
| Source of Spectrum | C-120-7018-2 |
| Wiley ID | 1699804 |