3-Acetyldigoxigenin
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3-Acetyldigoxigenin
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CAS No:
80680-86-0
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Formula:
C25H36O6
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Chemical Name:
3-Acetyldigoxigenin
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Synonyms:
3-Acetyldigoxigenin;Digoxigenin-3-acetate;3-Monoacetyldigoxigenin;BRN 4724729;3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3-acetate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3-ACETATE;Card-20(22)-enolide, 3-(acetyloxy)-3,14-dihydroxy-, (3-beta,5-beta,12-beta)-;DTXSID101001410;[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-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;LS-52507
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CAS No:
Computed Properties
Molecular Weight:432.5
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:432.25118886
Monoisotopic Mass:432.25118886
Topological Polar Surface Area:93.1
Heavy Atom Count:31
Complexity:821
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes