| SpectraBase Compound ID | ABwkx8n2SFx |
|---|---|
| InChI | InChI=1S/C28H42O/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/h10-11,16-19,23-26H,7-9,12-15H2,1-6H3/t19-,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | KPVGXFLEKYDPEJ-MMVIWDLYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C28H42O |
| Exact Mass | 394.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6zWGwvzMDYB |
|---|---|
| Name | 1-Methylcholesta-1,4,6-trien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O |
| InChI | InChI=1S/C28H42O/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/h10-11,16-19,23-26H,7-9,12-15H2,1-6H3/t19-,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey | KPVGXFLEKYDPEJ-MMVIWDLYSA-N |
| Molecular Weight | 394.643 g/mol |
| SMILES | C1(C=C([C@]2(C(=C1)C=C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)C)=O |
| SPLASH | splash10-00ds-0911000000-70f8e3f04bb6c5594c12 |
| Source of Spectrum | Y4-84-102-7 |
| Wiley ID | 1550052 |