| SpectraBase Compound ID | DJ0MPLQGRT5 |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3/t16-,17-,18+,20+,21-,22+,23-/m1/s1 |
| InChIKey | GBAYHCBQSSWKTG-PITBNBMLSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANIrRG3GFyH |
|---|---|
| Name | Annoglabasin D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.240624190 u |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3/t16-,17-,18+,20+,21-,22+,23-/m1/s1 |
| InChIKey | GBAYHCBQSSWKTG-PITBNBMLSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | [C@]1(C[C@@]23[C@@]([C@@]4(CCC[C@]([C@]4(CC3)[H])(C=O)C)C)([H])CC[C@@]1(C2)[H])(C(=O)OC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94256 |