| SpectraBase Compound ID | 6CCbFjvEWar |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26H,7-15,17H2,1-6H3/t19-,21+,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | HLVUNQFOGSRFBB-NEGOGNFFSA-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 | 4NPZw7aFGHJ |
|---|---|
| Name | 1-Methyl-5.alpha.-cholesta-1-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26H,7-15,17H2,1-6H3/t19-,21+,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | HLVUNQFOGSRFBB-NEGOGNFFSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | C1(C=C([C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)C)=O |
| SPLASH | splash10-0079-0902000000-ead84d0d3d450e8a9238 |
| Source of Spectrum | KC-1992-1853-21 |
| Synonyms | (5alpha)-1-methylcholest-1-en-3-one |
| Wiley ID | 776565 |