| SpectraBase Compound ID | 5kkZqjqonZh |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26(30)20(17-29)13-15-28(25,5)24(21)14-16-27(22,23)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17+/t19-,21+,22-,23+,24+,25+,27-,28-/m1/s1 |
| InChIKey | ILEURXIWTCSXNH-ZMIYUEGQSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ErVusN8M16R |
|---|---|
| Name | 3-Hydroxymethylene-5-.alpha.-cholestan-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26(30)20(17-29)13-15-28(25,5)24(21)14-16-27(22,23)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17+/t19-,21+,22-,23+,24+,25+,27-,28-/m1/s1 |
| InChIKey | ILEURXIWTCSXNH-ZMIYUEGQSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | O\C=C/1CC[C@]2([C@](C1=O)(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
| SPLASH | splash10-0btm-9145700000-336654ac12d7745c2d8e |
| Source of Spectrum | U-1995-1874-6 |
| Synonyms | (5alpha)-3-(hydroxymethylene)cholestan-4-one |
| Wiley ID | 820129 |