| SpectraBase Compound ID | K7SREbdcjba |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-19-11-18-30-27(7,16-14-23(34-30)26(5,6)35-30)21(19)12-17-29(32)20(2)9-10-24-28(29,8)15-13-22(31)25(3,4)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t19-,20+,21+,23-,24+,27+,28+,29+,30-/m0/s1 |
| InChIKey | VTTBRKPIECMXEP-CPKVFFPTSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LKzbl6KR9WZ |
|---|---|
| Name | Sodwanone E |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.365824705 u |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-19-11-18-30-27(7,16-14-23(34-30)26(5,6)35-30)21(19)12-17-29(32)20(2)9-10-24-28(29,8)15-13-22(31)25(3,4)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t19-,20+,21+,23-,24+,27+,28+,29+,30-/m0/s1 |
| InChIKey | VTTBRKPIECMXEP-CPKVFFPTSA-N |
| Molecular Weight | 490.725 g/mol |
| SMILES | [C@@]123[C@@]([C@@](CC[C@@]4([C@]5([C@@](OC(C)(C)C(CC5)=O)([H])CC[C@]4(C)[H])C)O)([H])[C@](CC2)(C)[H])(CC[C@@](O1)([H])C(O3)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951969 |