Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | CAS No. 57420-46-9

Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Basic Information

CAS Number

57420-46-9

Molecular Formula

C19H28O12

Molecular Weight

448.42 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.52

Solubility

Methanol,Water,DMSO,Acetontrile,Water

O=C(C1=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@]3([H])[C@]1([H])[C@H](O)C[C@@]3(OC(C)=O)C)OC

InChI

InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1

InChIKey

ARFRZOLTIRQFCI-NGQYDJQZSA-N

LogP

-2.465099999999997

Topological Polar Surface Area

181.44 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

725

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • 8-O-acetyl shanzhiside methyl ester
  • O-Acetyl Shanzhiside Methyl Ester, 8-
  • 8-Acetylshanzhiside methyl ester
  • methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
  • 8-O-acetylshanziside
  • acetylbarlerin
  • Ac-Shanz-ME
  • Barlerin
  • ipolamiidoside
  • Umbroside
  • [ "Barlerin" ]
  • 8-O-Acetylshanzhiside methyl ester
  • 8-O-acetyl shanzhiside methylester
  • methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
  • ND01
  • 8-o-acetyl-shanzhiside-methyl-ester
  • AX8327266
  • N
  • Barlerin,Umbroside,8-Acetylshanzhiside methyl ester

MDL Number

MFCD15071141

FAQ

What is Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 57420-46-9)?

This compound is a complex organic molecule with a defined stereochemistry. It contains a glucose-derived moiety, making it potentially useful in pharmaceutical applications. Its chemical formula is C21H32O10 and it is characterized by its acetoxy and hydroxy substituents, as well as the presence of a glucose unit.

What are the main uses of Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 57420-46-9)?

This compound is primarily used in pharmaceuticals for its potential therapeutic effects, particularly in the development of antiviral and anticancer agents. It may also be used as a research tool in the study of carbohydrate chemistry and drug design.

Is Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 57420-46-9) safe?

This compound is generally considered safe under controlled laboratory conditions. However, it should be handled with care due to its chemical complexity. Protective gloves and goggles are recommended. Compliance with local safety regulations and guidelines is essential to ensure safe handling and disposal.

How should Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 57420-46-9) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and moisture. It should be kept in tightly sealed containers to prevent degradation. Ideal storage conditions are at room temperature (15-25°C) and a relative humidity below 60%. Protective measures against spills and leaks should be in place to avoid hazardous conditions.

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