![3.alpha.-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-3.beta.-methyl-5.alpha.-cholestan-1-one](/api/spectrum/3aza5gmO3BA/structure.png?h=300&w=458 "3.alpha.-[3'-(5\",5\"-Dimethyl-1\",3\"-dioxane-2\"-yl)propyl]-3.beta.-methyl-5.alpha.-cholestan-1-one")
| SpectraBase Compound ID | K4m2IBSfVl9 |
|---|---|
| InChI | InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3/t26-,27+,28+,29-,30+,31+,35+,36-,37+/m1/s1 |
| InChIKey | YRDCGDXVPUMEGW-GIJPQTRMSA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C37H64O3 |
| Exact Mass | 556.485546 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3aza5gmO3BA |
|---|---|
| Name | 3.alpha.-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-3.beta.-methyl-5.alpha.-cholestan-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H64O3 |
| InChI | InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3/t26-,27+,28+,29-,30+,31+,35+,36-,37+/m1/s1 |
| InChIKey | YRDCGDXVPUMEGW-GIJPQTRMSA-N |
| Molecular Weight | 556.916 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(C[C@@](CCCC2OCC(CO2)(C)C)(C)CC1=O)[H])[H])C |
| SPLASH | splash10-014i-0902530000-173fe1f59af700511778 |
| Source of Spectrum | C-120-7018-6 |
| Wiley ID | 1699800 |