| SpectraBase Compound ID | 2EmoALsNuR9 |
|---|---|
| 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-MBIYXSFWSA-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 | JF2VqgqO5g0 |
|---|---|
| Name | Digitoxigenin |
| CAS Registry Number | 143-62-4 |
| Classification | Pharmaceutical drug, cardenolide cytotoxic |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 374.245709571 u |
| 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-MBIYXSFWSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 374.521 g/mol |
| Nominal Mass | 374 u |
| Quality | 907 |
| SMILES | OC1C[C@@]2([C@@]([C@@]3([C@]([C@@]4([C@](CC3)([C@@](C3=CC(OC3)=O)(CC4)[H])C)O)(CC2)[H])[H])(CC1)C)[H] |
| SPLASH | splash10-0udi-4940000000-c2ce0607a7d45b6a8bcd |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 3,14-Dihydroxy-card-20(22)enolide |
| Technique | DI/MS |
| Wiley ID | DD2024_007808 |