| SpectraBase Compound ID | KsELeXthsRU |
|---|---|
| InChI | InChI=1S/C28H46O5/c1-6-32-26(31)12-7-17(2)22-10-11-23-21-9-8-19-15-20(33-18(3)29)13-14-27(19,4)24(21)16-25(30)28(22,23)5/h17,19-25,30H,6-16H2,1-5H3/t17-,19-,20-,21+,22-,23+,24+,25+,27+,28-/m1/s1 |
| InChIKey | WSKKHENVDXUARA-AHSQCKJESA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C28H46O5 |
| Exact Mass | 462.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CLDtWl2utJw |
|---|---|
| Name | Ethyl 3.alpha.-acetoxy-12.alpha.-hydroxy-5.beta.-cholanate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O5 |
| InChI | InChI=1S/C28H46O5/c1-6-32-26(31)12-7-17(2)22-10-11-23-21-9-8-19-15-20(33-18(3)29)13-14-27(19,4)24(21)16-25(30)28(22,23)5/h17,19-25,30H,6-16H2,1-5H3/t17-,19-,20-,21+,22-,23+,24+,25+,27+,28-/m1/s1 |
| InChIKey | WSKKHENVDXUARA-AHSQCKJESA-N |
| Molecular Weight | 462.671 g/mol |
| SMILES | O[C@@]1([C@]2([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C1)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]2([C@@](CCC(=O)OCC)(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-0pbi-0085900000-7ead52f3caf0b7fd4940 |
| Source of Spectrum | G-61-1075-2 |
| Wiley ID | 749151 |