| SpectraBase Compound ID | L9HQ8yuc6R0 |
|---|---|
| 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/i19D |
| InChIKey | SHIBSTMRCDJXLN-IRGUQHBLSA-N |
| Mol Weight | 391.5 g/mol |
| Molecular Formula | C23H332DO5 |
| Exact Mass | 391.246901 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Gj7YHLTFVF |
|---|---|
| Name | Digoxigenin-12-D1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H33DO5 |
| 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/i19D |
| InChIKey | SHIBSTMRCDJXLN-IRGUQHBLSA-N |
| Molecular Weight | 391.526 g/mol |
| SMILES | O[C@]1([C@]2([C@](CC[C@@]2(C2=CC(=O)OC2)[H])([C@]2([C@](C1)([C@]1(CC[C@@](C[C@]1(CC2)[H])(O)[H])C)[H])[H])O)C)[2D] |
| SPLASH | splash10-11ba-0395000000-7d037bf275228a6dd28e |
| Source of Spectrum | BS-4-159-0 |
| Wiley ID | 1364973 |