| SpectraBase Compound ID | IBvwoNO17an |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16-,17+,19+,20-/m1/s1 |
| InChIKey | WFIRRHJNPNGJBS-DLNPTOARSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ifam3Cd33da |
|---|---|
| Name | 4.alpha.-apl:Ykurodin B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16-,17+,19+,20-/m1/s1 |
| InChIKey | WFIRRHJNPNGJBS-DLNPTOARSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@]12([C@@]3([C@@](OC(C[C@]3([C@@](CC1)(O)[H])[H])=O)(C[C@@]2([C@@](CCC=C(C)C)(C)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936046 |