[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-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-16-yl] acetate
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[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-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-16-yl] acetate
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CAS No:
102281-00-5
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Formula:
C25H36O7
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Chemical Name:
[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-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-16-yl] acetate
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Synonyms:
102281-00-5;16-Monoacetyldiginatigenin;BRN 1670073;3-beta,12-beta,14,16-Tetrahydroxy-5-beta-card-20(22)-enolide 16-acetate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14,16-TETRAHYDROXY-, 16-ACETATE;DTXSID70907335;16-(Acetyloxy)-3,12,14-trihydroxycard-20(22)-enolide
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CAS No:
[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-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-16-yl] acetate Basic Attributes
448.5 g/mol
448.24610348 g/mol
Computed Properties
Molecular Weight:448.5
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:448.24610348
Monoisotopic Mass:448.24610348
Topological Polar Surface Area:113
Heavy Atom Count:32
Complexity:853
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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