| SpectraBase Compound ID | 7n6ILaibHJU |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1 |
| InChIKey | VUKORTMHZDZZFR-BXAZICILSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | yrBx4eTSHZ |
|---|---|
| Name | (3Beta)-cholesta-5,8-dien-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.339216036 u |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1 |
| InChIKey | VUKORTMHZDZZFR-BXAZICILSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | C12=C([C@@]3(CC[C@@]([C@]3(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])[H])CC=C2[C@@]1(CC[C@](O)(C2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906374 |