Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate | CAS No. 117479-87-5

Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate

Basic Information

CAS Number

117479-87-5

Molecular Formula

C17H24O12

Molecular Weight

420.37 g/mol

AD

Basic Physical Properties

Physical State

Powder

Solubility

DMSO,Methanol,Acetontrile,Water

CC12C3C(OC=C(C3(C(C1O2)O)O)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1

InChIKey

XZVXEPPPQBLGMQ-HISQCTEXSA-N

LogP

-3.904599999999995

Topological Polar Surface Area

187.89999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

713

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Sesamoside
  • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
  • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, [1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha)]-
  • 2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
  • CS-0008942
  • 117479-87-5
  • Methyl 2-(hexopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
  • s9405
  • methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
  • MS-27371
  • MFCD20274707
  • HY-N0412
  • DTXSID00922430
  • 3-HYDROXYHEXADECANOICACIDMETHYLESTER
  • CHEMBL2048637
  • AKOS032946156
  • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
  • Q2S45L3ZVB
  • CCG-268887
  • Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(β-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
  • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylicacid, 2-(b-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a...
  • SESAMOSIDE
  • 2-(β-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
  • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
  • (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester
  • [ "" ]
  • C17H24O12
  • W1758
  • N2284
  • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid,

MDL Number

MFCD20274707

FAQ

What regulatory guidelines apply to (Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate) (CAS: 117479-87-5)?

This compound requires adherence to GHS classification, REACH regulations, and FDA/EPA guidelines due to its potential use in pharmaceuticals and food additives. It must comply with specific handling, storage, and disposal specifications to ensure safety and environmental protection.

Are there alternatives to (Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate) (CAS: 117479-87-5) in synthesis?

Synthesists may consider using glucose derivatives or similar glycosides as alternatives. Common substitute reagents include glycosyltransferases or mild acids for glycosylation reactions, which can produce similar functional groups with different structural variations.

What is the market or research trend for (Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate) (CAS: 117479-87-5)?

There is increasing interest in this compound due to its potential in drug discovery and food additives. Research trends focus on developing more efficient synthesis methods, exploring its biological activity, and assessing its safety and efficacy in various applications.

How should waste containing (Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate) (CAS: 117479-87-5) be handled?

Waste containing this compound should be collected and stored in sealed containers to prevent leakage. Disposal should follow local regulations, typically involving incineration or professional waste disposal services to ensure environmental safety and compliance with regulatory standards.

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