| SpectraBase Spectrum ID |
473DbvuEmu |
| Name |
Digitoxigenin -H2O AC @ |
| Classification |
Cardiac glycoside |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
398.245709571 u |
| Formula |
C25H34O4 |
| InChI |
InChI=1S/C25H34O4/c1-15(26)29-18-8-10-24(2)17(13-18)4-5-19-21-7-6-20(16-12-23(27)28-14-16)25(21,3)11-9-22(19)24/h7,12,17-20,22H,4-6,8-11,13-14H2,1-3H3 |
| InChIKey |
CKFRUFAILBIDGU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
398.543 g/mol |
| SMILES |
C12(C(C3CCC4C(C3CC2)(CCC(OC(=O)C)C4)C)=CCC1C1=CC(=O)OC1)C |
| SPLASH |
splash10-0abd-6922000000-e165fe46cfbd0181af57 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Digitoxin -H2O HYAC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5242 |
