| SpectraBase Compound ID | 3TZEdH9XZ5c |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1 |
| InChIKey | PVAMXWLZJKTXFW-VQMOFDJESA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EQNnubhOOz |
|---|---|
| Name | Gitoxigenin |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1 |
| InChIKey | PVAMXWLZJKTXFW-VQMOFDJESA-N |
| SMILES | O[C@@]1(C[C@]2(CC[C@@]3([C@](CC[C@]4([C@@]3(C[C@@]([C@@]4(C3=CC(OC3)=O)[H])(O)[H])O)C)([C@]2(CC1)C)[H])[H])[H])[H] |
| SPLASH | splash10-0f96-9630000000-42b93d1c02e437f1146d |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |