| SpectraBase Compound ID | J39YdanA20U |
|---|---|
| InChI | InChI=1S/C25H34O4/c1-19(9-5-11-22-13-14-28-18-22)7-4-8-20(2)10-6-12-23(17-26)16-24-21(3)15-25(27)29-24/h8-9,13-16,18,23,26H,4-7,10-12,17H2,1-3H3/b19-9+,20-8+,24-16- |
| InChIKey | SGQAGESUOIJYET-IXMPUFNTSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C25H34O4 |
| Exact Mass | 398.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2D9MR0Pq5lC |
|---|---|
| Name | 22-Deoxy-29-(hydroxymethyl)-Variabilin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O4 |
| InChI | InChI=1S/C25H34O4/c1-19(9-5-11-22-13-14-28-18-22)7-4-8-20(2)10-6-12-23(17-26)16-24-21(3)15-25(27)29-24/h8-9,13-16,18,23,26H,4-7,10-12,17H2,1-3H3/b19-9+,20-8+,24-16- |
| InChIKey | SGQAGESUOIJYET-IXMPUFNTSA-N |
| Molecular Weight | 398.543 g/mol |
| SMILES | OCC(\C=C\1OC(=O)C=C1C)CCC\C(=C\CC\C(=C\CCc1cocc1)C)C |
| SPLASH | splash10-05o1-9400000000-d639e40d0dfe0c8f5b98 |
| Source of Spectrum | G4-61-963-5 |
| Wiley ID | 1607371 |