Digitoxigenin
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Digitoxigenin
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CAS No:
143-62-4
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Formula:
C23H34O4
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Chemical Name:
Digitoxigenin
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Synonyms:
Card-20(22)-enolide,3,14-dihydroxy-,(3β,5β)-;5β-Card-20(22)-enolide,3β,14-dihydroxy-;(3β,5β)-3,14-Dihydroxycard-20(22)-enolide;Digitoxigenin;Δ20:22-3,14,21-Trihydroxynorcholenic acid lactone;(+)-Digitoxigenin;NSC 407806;Cerberigenin;898812-68-5;1345697-31-5
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CAS No:
Description
Digitoxigenin is a 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.|Digitoxigenin is a cardenolide which is the aglycon of digitoxin.|3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.
Characteristics
66.8
2.79
1.0284 (rough estimate)
253 °C
423.5°C (rough estimate)
188.2±23.6 °C
1.4433 (estimate)
2.36E-14mmHg at 25°C
D17 +19.1° (c = 1.36 in methanol)
Digitoxigenin Use and Manufacturing
Cardiotonic;Na+ K+ ATPase inhibitor
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cardanolides and derivatives [ST0112]
Computed Properties
Molecular Weight:374.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:374.24570956
Monoisotopic Mass:374.24570956
Topological Polar Surface Area:66.8
Heavy Atom Count:27
Complexity:686
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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