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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 |
SpectraBase Spectrum ID | CLDtWl2utJw |
---|---|
Name | Ethyl 3.alpha.-acetoxy-12.alpha.-hydroxy-5.beta.-cholanate |
Copyright | Copyright © 2020-2025 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 |