| SpectraBase Compound ID | 9wa8xakjtOZ |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)26(29-6)15-10-20(3)23-13-14-24-22-12-11-21-9-7-8-17-27(21,4)25(22)16-18-28(23,24)5/h11,20,22-25H,7-10,12-18H2,1-6H3/t20-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | OWIFQGSGACQSMZ-CLZLZETHSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JM04QmaCuNS |
|---|---|
| Name | 24-Methoxycholesta-5,24-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)26(29-6)15-10-20(3)23-13-14-24-22-12-11-21-9-7-8-17-27(21,4)25(22)16-18-28(23,24)5/h11,20,22-25H,7-10,12-18H2,1-6H3/t20-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | OWIFQGSGACQSMZ-CLZLZETHSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCC(=C(C)C)OC)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894544 |