| SpectraBase Compound ID | JHIr5BPJh6s |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-22(2)11-8-12-23(3)19-27(33)20-24(4)13-9-17-30(7)26(6)15-16-28(25(5)21-32)29(30)14-10-18-31/h11,13,19,21,26-27,29,31,33H,8-10,12,14-18,20H2,1-7H3/b23-19+,24-13+,28-25-/t26-,27?,29-,30-/m1/s1 |
| InChIKey | KGNYOYQNEUDLHE-HQSYSPEASA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CrNPnf7ehHc |
|---|---|
| Name | 10-Deoxy-17.eta.-hydroxyiridal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-22(2)11-8-12-23(3)19-27(33)20-24(4)13-9-17-30(7)26(6)15-16-28(25(5)21-32)29(30)14-10-18-31/h11,13,19,21,26-27,29,31,33H,8-10,12,14-18,20H2,1-7H3/b23-19+,24-13+,28-25-/t26-,27?,29-,30-/m1/s1 |
| InChIKey | KGNYOYQNEUDLHE-HQSYSPEASA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@]1(\C(CC[C@]([C@]1(CC\C=C\(CC(\C=C\(CCC=C(C)C)C)O)C)C)(C)[H])=C/(C=O)C)(CCCO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918908 |