| SpectraBase Compound ID | 5jz2CqgQAzB |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,16,18-19,22-25,27,31H,8-15,17H2,1-6H3/b20-7-/t19-,22+,23-,24+,25+,27-,28-,29-/m1/s1 |
| InChIKey | PRKRLDJHSWQHED-KYHABMLISA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7r9OCd5MOWQ |
|---|---|
| Name | 6.beta.-Hydroxy-24-ethylcholesta-4,24(28)-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,16,18-19,22-25,27,31H,8-15,17H2,1-6H3/b20-7-/t19-,22+,23-,24+,25+,27-,28-,29-/m1/s1 |
| InChIKey | PRKRLDJHSWQHED-KYHABMLISA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | O[C@]1(C=2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CC\C(=C\C)C(C)C)(C)[H])[H])[H])(C1)[H])[H])(CCC(=O)C2)C)[H] |
| SPLASH | splash10-004r-0098300000-5b9861c7efdf917784e9 |
| Source of Spectrum | G4-62-227-8 |
| Wiley ID | 1607720 |