| SpectraBase Compound ID | H5JSsejw1LQ |
|---|---|
| InChI | InChI=1S/C28H44O/c1-6-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29)14-16-27(21,4)26(23)15-17-28(24,25)5/h6,8,10,20,22-26,29H,1,7,9,11-18H2,2-5H3/b19-8-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | DJBKJCOEDGZVOG-GMKOAGIESA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IMmAebsS6Om |
|---|---|
| Name | 27-Norcholesta-5,24-dien-3-ol, 25-ethenyl-, (3.beta.,24Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.339216036 u |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-6-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29)14-16-27(21,4)26(23)15-17-28(24,25)5/h6,8,10,20,22-26,29H,1,7,9,11-18H2,2-5H3/b19-8-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | DJBKJCOEDGZVOG-GMKOAGIESA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC\C=C/(C=C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87725 |