[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
structure -
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CAS No:
5175-78-0
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Formula:
C25H32O6
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Chemical Name:
[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
5175-78-0;NSC87316;DTXSID00966051;NSC-87316;3-(Acetyloxy)-5-hydroxy-19-oxocarda-14,20(22)-dienolide
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CAS No:
[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
428.5 g/mol
428.21988874 g/mol
87316
Computed Properties
Molecular Weight:428.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:428.21988874
Monoisotopic Mass:428.21988874
Topological Polar Surface Area:89.9
Heavy Atom Count:31
Complexity:888
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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