| SpectraBase Compound ID | C61SRJJyarz |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 |
| InChIKey | SHIBSTMRCDJXLN-KCZCNTNESA-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 | KVkSm1iFDM2 |
|---|---|
| Name | Digoxigenin |
| Comments | (unverified) |
| 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)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 |
| InChIKey | SHIBSTMRCDJXLN-KCZCNTNESA-N |
| SMILES | O[C@]1([C@]2([C@@]([C@@]3(CC[C@@]4(C[C@](CC[C@@]4([C@]3(C1)[H])C)(O)[H])[H])[H])(CC[C@@]2(C1=CC(OC1)=O)[H])O)C)[H] |
| SPLASH | splash10-0kbf-4930000000-c79965be28b000d5ccc3 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |