Digitoxin, tetraacetate
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Digitoxin, tetraacetate
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CAS No:
13238-31-8
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Formula:
C49H72O17
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Chemical Name:
Digitoxin, tetraacetate
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Synonyms:
Tetraacetyldigitoxin;Digitoxin, tetraacetate;BRN 0078324;13238-31-8;4-18-00-01480 (Beilstein Handbook Reference);SCHEMBL8060114;[(2R,3R,4S,6S)-3-[(2R,4S,5R,6R)-4-acetyloxy-5-[(2R,4S,5R,6R)-4,5-diacetyloxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-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-tetradecahydrocyclop
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CAS No:
Computed Properties
Molecular Weight:933.1
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:15
Exact Mass:932.47695082
Monoisotopic Mass:932.47695082
Topological Polar Surface Area:207
Heavy Atom Count:66
Complexity:1870
Defined Atom Stereocenter Count:19
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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