| SpectraBase Compound ID | Ik83emGpwxN |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-19-9-11-24-28(7,16-14-22(31)26(3,4)34-24)21(19)13-18-30(33)20(2)10-12-25-29(30,8)17-15-23(32)27(5,6)35-25/h20-21,24-25,33H,1,9-18H2,2-8H3/t20-,21-,24+,25-,28-,29-,30-/m1/s1 |
| InChIKey | IFCHJVPYNAHAND-IHNSFMRCSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 44RzaU959Sd |
|---|---|
| Name | Sodwanone D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.350174641 u |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-19-9-11-24-28(7,16-14-22(31)26(3,4)34-24)21(19)13-18-30(33)20(2)10-12-25-29(30,8)17-15-23(32)27(5,6)35-25/h20-21,24-25,33H,1,9-18H2,2-8H3/t20-,21-,24+,25-,28-,29-,30-/m1/s1 |
| InChIKey | IFCHJVPYNAHAND-IHNSFMRCSA-N |
| Molecular Weight | 488.709 g/mol |
| SMILES | [C@]12([C@@](CC[C@]3([C@@]4([C@](OC(C)(C)C(CC4)=O)([H])CCC3=C)C)[H])([C@](C)(CC[C@]2(OC(C)(C)C(CC1)=O)[H])[H])O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887601 |