[14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
structure -
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CAS No:
31444-12-9
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Formula:
C26H34O6
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Chemical Name:
[14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
3.beta.-Acetoxy-15-oxobufalin;31444-12-9;NSC248528;DTXSID00311966;NSC-248528;Bufa-20,22-dienolide, 3-(acetyloxy)-14-hydroxy-15-oxo-, (3.beta.,5.beta.)-;3-(Acetyloxy)-14-hydroxy-15-oxobufa-20,22-dienolide #;Bufa-20, 3-(acetyloxy)-14-hydroxy-15-oxo-, (3.beta.,5.beta.)-
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CAS No:
[14-hydroxy-10,13-dimethyl-15-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
442.5 g/mol
442.23553880 g/mol
248528
DTXSID00311966
Computed Properties
Molecular Weight:442.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:442.23553880
Monoisotopic Mass:442.23553880
Topological Polar Surface Area:89.9
Heavy Atom Count:32
Complexity:919
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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