Desacetylcinobufagin
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Desacetylcinobufagin
structure -
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CAS No:
4026-95-3
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Formula:
C24H32O5
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Chemical Name:
Desacetylcinobufagin
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Synonyms:
Bufa-20,22-dienolide,14,15-epoxy-3,16-dihydroxy-,(3β,5β,15β,16β)-;5β-Bufa-20,22-dienolide,14,15β-epoxy-3β,16β-dihydroxy-;Cinobufagin,deacetyl-;(3β,5β,15β,16β)-14,15-Epoxy-3,16-dihydroxybufa-20,22-dienolide;Deacetylcinobufagin;Desacetylcinobufagin;NSC 234203
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CAS No:
Characteristics
83.20000
2.00
1.3±0.1 g/cm3
129-130 °C
601.9±55.0 °C at 760 mmHg
208.1±25.0 °C
1.619
Computed Properties
Molecular Weight:400.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:400.22497412
Monoisotopic Mass:400.22497412
Topological Polar Surface Area:79.3
Heavy Atom Count:29
Complexity:818
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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