| SpectraBase Compound ID | G904Fho0LJm |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-8-18(27)10-14-23(5)15-11-20-24(6)13-9-12-22(3,4)21(24)19(28-17(2)26)16-25(20,7)29-23/h10,14,19-21H,8-9,11-13,15-16H2,1-7H3/b14-10+/t19-,20?,21-,23+,24+,25+/m0/s1 |
| InChIKey | SGPKOBICDGPHHL-WBNRUMCCSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4IOKzmH31Nj |
|---|---|
| Name | Yosgadensonol - 6-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-8-18(27)10-14-23(5)15-11-20-24(6)13-9-12-22(3,4)21(24)19(28-17(2)26)16-25(20,7)29-23/h10,14,19-21H,8-9,11-13,15-16H2,1-7H3/b14-10+/t19-,20?,21-,23+,24+,25+/m0/s1 |
| InChIKey | SGPKOBICDGPHHL-WBNRUMCCSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | [C@]12(C3[C@@](O[C@@](CC3)(\C=C\C(=O)CC)C)(C)C[C@@]([C@]1(C(C)(C)CCC2)[H])(OC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939382 |