| SpectraBase Compound ID | 98mJlYZJJXK |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1/i14D2 |
| InChIKey | WJOGTCZNZPHODB-FAVFZVKXSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H342D2O5 |
| Exact Mass | 418.268828 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FqLzaVrvi4n |
|---|---|
| Name | Digitoxigenin-21,21-D2 acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34D2O5 |
| InChI | InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1/i14D2 |
| InChIKey | WJOGTCZNZPHODB-FAVFZVKXSA-N |
| Molecular Weight | 418.570 g/mol |
| SMILES | O[C@@]12[C@@]3(CC[C@@]4(C[C@](CC[C@@]4([C@]3(CC[C@@]1([C@](CC2)(C=1C(OC(=O)C1)([2D])[2D])[H])C)[H])C)(OC(C)=O)[H])[H])[H] |
| SPLASH | splash10-0udj-0391000000-d5dbc693743b11c3fb03 |
| Source of Spectrum | BS-4-164-0 |
| Wiley ID | 1376508 |