| SpectraBase Compound ID | 6tNw5ulT1Ku |
|---|---|
| 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 |
| InChIKey | WJOGTCZNZPHODB-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aohoz8gbCjT |
|---|---|
| Name | Digitoxigenin acetate |
| CAS Registry Number | 808-19-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O5 |
| 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 |
| InChIKey | WJOGTCZNZPHODB-UHFFFAOYSA-N |
| Molecular Weight | 416.558 g/mol |
| SMILES | OC12C3C(C4(C(CC3)CC(CC4)OC(C)=O)C)CCC2(C(CC1)C1=CC(OC1)=O)C |
| SPLASH | splash10-0udj-0491000000-4d59220fdbfef27a2e7b |
| Source of Spectrum | BS-4-160-0 |
| Synonyms | Acetic acid [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1376491 |