Desacetylcinobufotalin
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Desacetylcinobufotalin
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CAS No:
4099-30-3
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Formula:
C24H32O6
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Chemical Name:
Desacetylcinobufotalin
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Synonyms:
Bufa-20,22-dienolide,14,15-epoxy-3,5,16-trihydroxy-,(3β,5β,15β,16β)-;5β-Bufa-20,22-dienolide,14,15β-epoxy-3β,5,16β-trihydroxy-;14,15-Epoxy-14H-cyclopenta[a]phenanthrene,bufa-20,22-dienolide deriv.;(3β,5β,15β,16β)-14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide;β-Bufa-20,22-dienolide,14,15β-epoxy-3β,15β,16β-trihydroxy-;Desacetylcinobufotalin;Deacetylcinobufotalin;De-O-acetylcinobufotalin;61854-81-7
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CAS No:
Description
Desacetylcinobufotalin is a natural compound; apoptosis inducer and shows the marked inhibition effect to HepG2 cells and the IC50 value is 0.0279μmol/ml.
Characteristics
103.43000
0.35
1.37±0.1 g/cm3
251-261 °C (decomp) @ Solvent: Methanol, Diethyl ether
636.7±55.0 °C at 760 mmHg
220.4±25.0 °C
1.638
Computed Properties
Molecular Weight:416.5
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:416.21988874
Monoisotopic Mass:416.21988874
Topological Polar Surface Area:99.5
Heavy Atom Count:30
Complexity:866
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes