| SpectraBase Compound ID | 5OxSVDIgUg4 |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey | UVFOCYGYACXLAY-ZDQUCUCBSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CqRFDXYy63g |
|---|---|
| Name | 6-Oxositostenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.349780719 u |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey | UVFOCYGYACXLAY-ZDQUCUCBSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C1(CC[C@@]2(C)C(=C1)C(C[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])[H])[H])[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926222 |