| SpectraBase Compound ID | LwB8Y9WtJmy |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)8-7-9-20(4)23-12-13-24-22-11-10-21-16-19(3)17-26(29)28(21,6)25(22)14-15-27(23,24)5/h17-18,20-25H,7-16H2,1-6H3/t20-,21+,22+,23-,24+,25+,27-,28+/m1/s1 |
| InChIKey | IQEFPJOOSJIKHV-PXYXKYBDSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8aouwrgiJDi |
|---|---|
| Name | 3-Methyl-(5.alpha.)-cholest-2-en-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-18(2)8-7-9-20(4)23-12-13-24-22-11-10-21-16-19(3)17-26(29)28(21,6)25(22)14-15-27(23,24)5/h17-18,20-25H,7-16H2,1-6H3/t20-,21+,22+,23-,24+,25+,27-,28+/m1/s1 |
| InChIKey | IQEFPJOOSJIKHV-PXYXKYBDSA-N |
| Molecular Weight | 398.675 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(C)=CC1=O)[H])[H])C |
| SPLASH | splash10-053j-0409000000-fce8d91ef39355dd0cdc |
| Source of Spectrum | C-120-7018-5 |
| Wiley ID | 1699801 |