5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
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5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
structure -
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CAS No:
26577-92-4
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Formula:
C24H32O5
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Chemical Name:
5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
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Synonyms:
DTXSID80949423;26577-92-4;3,14,19-Trihydroxybufa-4,20,22-trienolide
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CAS No:
5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Basic Attributes
400.5 g/mol
400.22497412 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:400.22497412
Monoisotopic Mass:400.22497412
Topological Polar Surface Area:87
Heavy Atom Count:29
Complexity:812
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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