| SpectraBase Compound ID | 6haOi1b8Hk |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,21-25,29H,6-8,10-16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-,27+/m1/s1 |
| InChIKey | OZYIBSMUPZRKQL-DCIFWVQBSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 93wwQkHgDch |
|---|---|
| Name | Cholest-5-en-3-one, 1-hydroxy-, (1.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,21-25,29H,6-8,10-16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-,27+/m1/s1 |
| InChIKey | OZYIBSMUPZRKQL-DCIFWVQBSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])CC(C[C@@]1(O)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867404 |