2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
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2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
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CAS No:
63139-16-2
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Formula:
C28H40O8
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Chemical Name:
2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
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Synonyms:
NSC312620;63139-16-2;DTXSID00317201;NSC-312620;WITHAFERIN DERIV B665685K000;2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one;Ergosta-2, 5,6,14,17,20,22-hexahydroxy-1-oxo-, .delta.-lactone, (5.alpha.,6.beta.,17.alpha.,22R)-
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CAS No:
2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Basic Attributes
504.6 g/mol
504.27231823 g/mol
312620
DTXSID00317201
Computed Properties
Molecular Weight:504.6
XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:504.27231823
Monoisotopic Mass:504.27231823
Topological Polar Surface Area:145
Heavy Atom Count:36
Complexity:1080
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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