| SpectraBase Compound ID | LOGMn20WLBt |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-14-4-7-22-13-27-18(9-17(22)12-25-15(2)23)10-19(22)21(14,3)6-5-16-8-20(24)26-11-16/h8-9,14,18-19H,4-7,10-13H2,1-3H3/t14-,18?,19-,21+,22+/m0/s1 |
| InChIKey | RJOPGLBBQJLBKS-DUDGIGPASA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 64KF4mpq759 |
|---|---|
| Name | Amphiacrolide K - acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.209324061 u |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-14-4-7-22-13-27-18(9-17(22)12-25-15(2)23)10-19(22)21(14,3)6-5-16-8-20(24)26-11-16/h8-9,14,18-19H,4-7,10-13H2,1-3H3/t14-,18?,19-,21+,22+/m0/s1 |
| InChIKey | RJOPGLBBQJLBKS-DUDGIGPASA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | [C@]123[C@]([C@@](CCC4=CC(=O)OC4)(C)[C@](CC1)(C)[H])(CC(C=C2COC(=O)C)OC3)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950821 |