| SpectraBase Compound ID | Jlp3JCKTQ78 |
|---|---|
| InChI | InChI=1S/C29H52O/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h20-27H,7-19H2,1-6H3/t21-,22?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | WDVKALNTNPKVON-LCAPWBFGSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C29H52O |
| Exact Mass | 416.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8OBjNnilHJ7 |
|---|---|
| Name | 3-Ethoxycholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O |
| InChI | InChI=1S/C29H52O/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h20-27H,7-19H2,1-6H3/t21-,22?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | WDVKALNTNPKVON-LCAPWBFGSA-N |
| Instrument Name | Carlo Erba QMD 1000 or Fisons MD800 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np1008366 |
| Molecular Weight | 416.734 g/mol |
| SMILES | C1C[C@]2(C(CC1OCC)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-014l-4092000000-dc66c0a2417b4ec0844b |
| Source of Spectrum | G4-74-SM4-52 |
| Wiley ID | 1849160 |