| SpectraBase Compound ID | 8OyDSsu0QwG |
|---|---|
| InChI | InChI=1S/C23H38O3/c1-7-16(24)9-13-21(4)14-10-18-22(5)12-8-11-20(2,3)19(22)17(25)15-23(18,6)26-21/h9,13,17-19,25H,7-8,10-12,14-15H2,1-6H3/b13-9+/t17-,18+,19-,21+,22+,23+/m0/s1 |
| InChIKey | DJTVQIDPSCHPOP-KNOYUSHVSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C23H38O3 |
| Exact Mass | 362.282095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L0F4xa9Smbg |
|---|---|
| Name | 13-epi-Yosgadensonol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.282095081 u |
| Formula | C23H38O3 |
| InChI | InChI=1S/C23H38O3/c1-7-16(24)9-13-21(4)14-10-18-22(5)12-8-11-20(2,3)19(22)17(25)15-23(18,6)26-21/h9,13,17-19,25H,7-8,10-12,14-15H2,1-6H3/b13-9+/t17-,18+,19-,21+,22+,23+/m0/s1 |
| InChIKey | DJTVQIDPSCHPOP-KNOYUSHVSA-N |
| Molecular Weight | 362.554 g/mol |
| SMILES | [C@]12(O[C@@](CC[C@@]2([C@@]2([C@@]([C@](C1)(O)[H])(C(C)(C)CCC2)[H])C)[H])(\C=C\C(=O)CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972112 |