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CAS 52589-12-5

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(3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide

Description:
The chemical substance with the name "(3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide" and CAS number "52589-12-5" is a complex glycosylated cardenolide, which is a type of steroid compound. This substance features multiple hydroxyl groups, contributing to its solubility and reactivity. The presence of dideoxy sugars indicates that it has significant biological activity, potentially affecting cellular processes. Cardenolides are known for their ability to inhibit Na+/K+ ATPase, which can lead to increased intracellular calcium levels, influencing cardiac contractility. The specific stereochemistry at various positions (3β, 5β, 12β, 16β) suggests a particular three-dimensional arrangement that is crucial for its biological function. Overall, this compound may exhibit pharmacological properties, making it of interest in medicinal chemistry and pharmacology, particularly in the context of cardiovascular therapies.
Formula:C41H64O15
InChI:InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3
InChI key:InChIKey=AASCKLXRKILUGL-UHFFFAOYSA-N
SMILES:OC12C(C)(C(C(O)C1)C=3COC(=O)C3)C(O)CC4C2CCC5C4(C)CCC(OC6CC(O)C(OC7CC(O)C(OC8CC(O)C(O)C(C)O8)C(C)O7)C(C)O6)C5
Synonyms:
  • (3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-<span class="text-smallcaps">D</smallcap>-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-<smallcap>D</smallcap>-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
  • 3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-Dideoxyhexopyranosyl-(1->4)-2,6-Dideoxyhexopyranosyl]Oxy}-12,14,16-Trihydroxycard-20(22)-Enolide
  • Brn 0077168
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1,4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14,16-trihydroxy-, (3-beta,5-beta,12-beta,16-beta)-
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-<span class="text-smallcaps">D</smallcap>-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-<smallcap>D</smallcap>-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-, (3β,5β,12β,16β)-
  • Diginatigenin-tridigitoxosid
  • Diginatigenin-tridigitoxosid [German]
  • (3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
  • 4-18-00-03089 (Beilstein Handbook Reference)
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-, (3β,5β,12β,16β)-
  • Diginatin
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