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CAS 11051-90-4

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(3β,11α,12β,14β)-11-(Acetiloxi)-3-[(O-6-desoxi-3-O-metil-β-D-alopiranosil-(1→4)-O-2,6-didesoxi-3-O-metil-β-D-arabino-hexopiranosil-(1→4)-2,6-didesoxi-3-O-metil-β-D-ribo-hexopiranosil)oxi]-14-hidroxi-12-[(1-oxo-3-fenil-2-propen-1-il)oxi]pregnan-20-ona

Descrição:
A substância química com o nome "(3β,11α,12β,14β)-11-(Acetiloxi)-3-[(O-6-desoxi-3-O-metil-β-D-alopiranosil-(1→4)-O-2,6-didesoxi-3-O-metil-β-D-arabino-hexopiranosil-(1→4)-2,6-didesoxi-3-O-metil-β-D-ribo-hexopiranosil)oxi]-14-hidroxi-12-[(1-oxo-3-fenil-2-propen-1-il)oxi]pregnan-20-ona" é uma molécula orgânica complexa caracterizada por sua estrutura esteroide, que é típica dos pregnanos. Este composto apresenta múltiplos grupos funcionais, incluindo acetoxi, hidroxilo e ligações glicosídicas, indicando sua potencial atividade biológica e interação com vários sistemas biológicos. A presença de unidades de açúcar sugere que pode exibir propriedades relacionadas à glicosilação, o que pode influenciar a solubilidade, estabilidade e bioatividade. O grupo fenila ligado à molécula sugere possíveis interações aromáticas, que podem desempenhar um papel em seus efeitos farmacológicos. No geral, a estrutura intrincada deste composto sugere que pode ter implicações significativas na química medicinal, particularmente no desenvolvimento de agentes terapêuticos. Seu número CAS, 11051-90-4, permite uma identificação precisa em bancos de dados químicos e literatura.
Fórmula:C53H78O17
InChI:InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3
Chave InChI:InChIKey=ZKWQLHAAXWFVPF-UHFFFAOYSA-N
SMILES:O(C(C)=O)C1C2C(C3(O)C(C)(C1OC(C=CC4=CC=CC=C4)=O)C(C(C)=O)CC3)CCC5C2(C)CCC(OC6CC(OC)C(OC7CC(OC)C(OC8C(O)C(OC)C(O)C(C)O8)C(C)O7)C(C)O6)C5
Sinónimos:
  • (3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-<span class="text-smallcaps">D</smallcap>-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-<smallcap>D</smallcap>-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one
  • (3β,8xi,9xi,11α,12β,14β)-11-(acetyloxy)-3-{[6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-oxopregnan-12-yl (2E)-3-phenylprop-2-enoate
  • Condurango glycoside A
  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-<span class="text-smallcaps">D</smallcap>-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-<smallcap>D</smallcap>-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, (3β,11α,12β,14β)-
  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-<span class="text-smallcaps">D</smallcap>-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-<smallcap>D</smallcap>-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3β,11α,12β,14β)-
  • (3β,11α,12β,14β)-11-(Acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]pregnan-20-one
  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, (3β,11α,12β,14β)-
  • Pregnan-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (3β,11α,12β,14β)-
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