(3β,5β)-3-[(2,6-Didesoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid
K-strophanthin-beta
Grundinformationen
- CAS
560-53-2- Standard-SMILES
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
FHIREUBIEIPPMC-SADZTDHOSA-N- Summenformel
- C36H54O14
- Durchschnittliche Molmasse
- 710,8 g/mol
- Monoisotopische Masse
- 710,35135639
Überblick
K-Strophanthin-beta is a steroid aldehyde and a cardenolide glycoside.
Namen und Bezeichner
- Bevorzugter Name
- K-strophanthin-beta
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- Lokaler Name
- (3β,5β)-3-[(2,6-Didesoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid
- Englischer Name
- K-strophanthin-beta
- Summenformel
- C36H54O14
- Molmasse
- 710.81
Namen und Synonyme
beta-k-Strophanthink-Strophanthin-betaStrophosidK935S3T1OE560-53-2DTXSID00971387NSC-4320NSC-7670RefChem:924030DTXCID901478287209-210-9Strophanthin K
Weitere Namen anzeigen
STROPHANTHINNsc4320.beta.-K-StrophanthinStrophanthin K (crystalline).beta.-Strophanthobioside, strophanthidin-33β-[(4-O-β-D-Glucopyranosyl-3-O-methyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide(3β,5β)-3-{[2,6-dideoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-5.beta.-Card-20(22)-enolide, 3.beta.-[(2,6-dideoxy-4-o-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 211 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 50
- Formalladung
- 0
- Komplexität
- 1.330
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 °C · 195°C
- Siedepunkt
- 628.39 °C · 628.39°C (rough estimate)
- Dichte
- 1.1625 · 1.1625 (rough estimate)
- Brechungsindex
- 1.613 · 1.6130 (estimate)
- pka
- 12.89 · 12.89±0.70(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungStrophanthin is made up of a mixture of glycosides, mainly K-strophanthin- β, 3β,5,14-trihydroxy-10-oxo-5β-card-20(22)-enolide-3-D-cymaro-β-D-glycoside, and K-strophanthoside, 3β,5,14-trihydroxy-10-oxo-5β-card-20(22)-enolide-3-Dcymaro- β-D-gluco-α-D-glycozide. It is isolated primarily from the family Strophantus kombe.
VerwendenStrophanthin is used in severe cardiovascular insufficiency, in particular after myocardial infarction, for chronic cardiac insufficiency, cardiac decompensation, supraventricular tachycardia, and ventricular arrhythmia.
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