| SpectraBase Compound ID | DHha1DzHxKA |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h16-18,21-24H,6-15H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | KIBXNCRGVPVXQK-REEZCCHISA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EYiYg4pQ38y |
|---|---|
| Name | Cholest-4-ene-3,24-dione |
| Alternate Name(s) | 4-Cholestene-3,24-dione |
| CAS Registry Number | 57701-41-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h16-18,21-24H,6-15H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | KIBXNCRGVPVXQK-REEZCCHISA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCC(=O)C(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05fr-0911000000-39dfd44d76a4ae5f0f9f |
| Source of Spectrum | KO-3-82-1 |
| Wiley ID | 1368693 |