| SpectraBase Compound ID | 4oKm7KwU0jp |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h7,16-17,19-25,28H,6,8-15H2,1-5H3 |
| InChIKey | XOQFFASKZVIGPO-UHFFFAOYSA-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 | 9L4EHYenOs4 |
|---|---|
| Name | des-N-Dihydrosolasodine |
| 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/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h7,16-17,19-25,28H,6,8-15H2,1-5H3 |
| InChIKey | XOQFFASKZVIGPO-UHFFFAOYSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | C1(O)CCC2(C)C(C1)=CCC1C3CC4OC(CCC(C)C)C(C)C4C3(C)CCC21 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958953 |