[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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CAS No:
2842-86-6
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Formula:
C25H34O6
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Chemical Name:
[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
2842-86-6;BRN 0063744;3-Acetyl-12-dehydrodigoxigenin;3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide 3-acetate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-12-OXO-, 3-ACETATE;DTXSID00951083;3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide
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CAS No:
[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
430.5 g/mol
430.23553880 g/mol
Computed Properties
Molecular Weight:430.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:430.23553880
Monoisotopic Mass:430.23553880
Topological Polar Surface Area:89.9
Heavy Atom Count:31
Complexity:862
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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