| SpectraBase Compound ID | A9IY130IHG5 |
|---|---|
| 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-/m0/s1/i11D/t11?,17?,18-,19+,20-,21?,23-,24+,25- |
| InChIKey | WJOGTCZNZPHODB-KUDXSFDBSA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C25H352DO5 |
| Exact Mass | 417.262551 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5UJVgSFkot3 |
|---|---|
| Name | Digitoxigenin-15-.xi.-D1 acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H35DO5 |
| 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-/m0/s1/i11D/t11?,17?,18-,19+,20-,21?,23-,24+,25- |
| InChIKey | WJOGTCZNZPHODB-KUDXSFDBSA-N |
| Molecular Weight | 417.564 g/mol |
| SMILES | O[C@@]12[C@@]([C@@](C3=CC(=O)OC3)(CC1[2D])[H])(CC[C@@]1([C@]3(CC[C@](OC(=O)C)(CC3CCC21)[H])C)[H])C |
| SPLASH | splash10-0udj-0392000000-db78736dc1aa6de9a3d3 |
| Source of Spectrum | BS-4-162-0 |
| Wiley ID | 1376505 |