| SpectraBase Compound ID | HJHE8vzzc37 |
|---|---|
| InChI | InChI=1S/C28H47NO/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29-30)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26,30H,7-15,17H2,1-6H3/b29-22+/t19-,21+,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | ORMKERCTGBESMN-ZEZODYIASA-N |
| Mol Weight | 413.7 g/mol |
| Molecular Formula | C28H47NO |
| Exact Mass | 413.365765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4pPOFXnAQwh |
|---|---|
| Name | (E)-1-Methyl-5.alpha.-cholesta-1-en-3-one oxime |
| Alternate Name(s) | (E)and (Z)-1-Methyl-5.alpha.-cholesta-1-en-3-one .beta.-oxime (5alpha)-1-methylcholest-1-en-3-one oxime |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NO |
| InChI | InChI=1S/C28H47NO/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29-30)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26,30H,7-15,17H2,1-6H3/b29-22+/t19-,21+,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | ORMKERCTGBESMN-ZEZODYIASA-N |
| Molecular Weight | 413.690 g/mol |
| SMILES | O\N=C\1C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(C(=C1)C)C)[H] |
| SPLASH | splash10-03dj-0404900000-ed9275032248e7888fc8 |
| Source of Spectrum | KC-1992-1853-22 |
| Wiley ID | 776564 |