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CAS 11051-90-4

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(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

Description:
The chemical substance with the name "(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" is a complex organic molecule characterized by its steroid backbone, which is typical of pregnanes. This compound features multiple functional groups, including acetoxy, hydroxy, and glycosidic linkages, indicating its potential biological activity and interaction with various biological systems. The presence of sugar moieties suggests that it may exhibit properties related to glycosylation, which can influence solubility, stability, and bioactivity. The phenyl group attached to the molecule hints at possible aromatic interactions, which could play a role in its pharmacological effects. Overall, this compound's intricate structure suggests it may have significant implications in medicinal chemistry, particularly in the development of therapeutic agents. Its CAS number, 11051-90-4, allows for precise identification in chemical databases and literature.
Formula: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
InChI key: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
Synonyms:
  • (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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