| SpectraBase Compound ID | FEoSdhHhS4j |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 |
| InChIKey | XZTUSOXSLKTKJQ-CESUGQOBSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IG4Ny2xygst |
|---|---|
| Name | Digitoxigenin |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 |
| InChIKey | XZTUSOXSLKTKJQ-CESUGQOBSA-N |
| SMILES | O[C@@]12[C@]3([C@@]([C@@]4([C@@](C[C@](CC4)(O)[H])(CC3)[H])C)(CC[C@]1(C)[C@](CC2)(C=1COC(C1)=O)[H])[H])[H] |
| SPLASH | splash10-0zfu-6920000000-0130805a83f87123450d |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |