| SpectraBase Compound ID | 1maZaanCPpE |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h13,18-20,22-26H,6-12,14-17H2,1-5H3/t20-,22?,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | FAXDZTVOWWAEJX-ULEPMCFASA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2I0W5vyDort |
|---|---|
| Name | Cholest-2-ene-3-carboxaldehyde, (5.alpha.)- |
| CAS Registry Number | 89328-16-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h13,18-20,22-26H,6-12,14-17H2,1-5H3/t20-,22?,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | FAXDZTVOWWAEJX-ULEPMCFASA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC=C(C=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0002-0009000000-910ed277534b3565ac95 |
| Source of Spectrum | AJ-60-1845-17 |
| Synonyms | 3-Formylcholestene Cholest-2-ene-3-carbaldehyde |
| Wiley ID | 1368809 |