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

Basic Information

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CAS Number

64421-28-9

Molecular Formula

C17H26O11

Molecular Weight

406.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

90°C (dec.)

Density

1.58

Solubility

Methanol,Ethanol,Water,DMSO,Acetontrile

SMILES

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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(O)C)OC

InChI

InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1

InChIKey

KKSYAZCUYVRKML-IRDZEPHTSA-N

LogP

-3.035899999999999

Topological Polar Surface Area

175.37 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

624

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7S,7aS)-
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dih...
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-,methyl ester,
SHANZHISIDE METHYL ESTER
SHANZHISIDE METHYLESTER(AS)
SHANZHISIDE METHYLESTER(P)
Silver
hanzhiside Methyl ester
Shaniside methyl ester
shanzhiside Me ester
shanzhiside methy ester
shanziside Me-ester
shanziside methyl ester
(1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
Methyl (4aR,7S,7aR)-5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6
SHANZHISIDE METHYLESTER
SHANZHISIDEMETHYLESTER
Shanzhisidmethylester
MEGxp0_000430
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-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
s9307
V2225
F1
Shanzhiside methyl ester
Sanshiside methyl ester,Shanzhizide methyl ester,Shanziside methyl ester,Shanzhiside methyl ester

MDL Number

MFCD00017416

FAQ

What regulatory guidelines apply to Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 64421-28-9)?

Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 64421-28-9) falls under the European Union’s REACH regulation for chemicals, requiring registration and reporting. In the U.S., it is subject to FDA and EPA regulations for safety and environmental impact. GHS classification applies for hazardous materials handling, ensuring proper labeling and storage based on potential health and environmental hazards.

Are there alternatives to Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate in synthesis?

Alternative reagents such as methyl glucoside and other glycosides can be used as substitutes in some synthesis processes. Isomers and analogs like methyl (1R,4aR,5S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate may also be considered, depending on the specific application and desired properties.

What is the market or research trend for Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 64421-28-9)?

Research trends indicate increasing interest in natural product derivatives, including glycosides, for pharmaceutical and biotechnological applications. Market demand is growing due to advancements in drug discovery and biocatalysis. Studies focus on improving synthesis methods and understanding the biological activity of this compound.

How should waste containing Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS: 64421-28-9) be handled?

Waste containing Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure it complies with local regulations. Environmental precautions include proper containment to prevent contamination during handling and disposal.