Deacetyl asperulosidic acid methyl ester

Basic Information

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CAS Number

52613-28-2

Molecular Formula

C17H24O11

Molecular Weight

404.37 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

Density

1.61±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

InChIKey

WSGPLSDARZNMCW-FCVLBCLDSA-N

LogP

-3.258299999999998

Topological Polar Surface Area

175.37 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

647

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

6-alpha-Hydroxygeniposide
6-Epiferetoside
6α-Hydroxygeniposide
Deacetylasperulosidic acid methyl ester
6alpha-Hydroxygeniposide
[ "" ]
Methyl (4aR,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a
Methyl deacetylasperulosidate
Deacetyl asperulosidic acid methyl ester
6A-Hydroxygeniposide
6
A-Hydroxygeniposide
methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SME
8034AH
s9429
Deacetylasperuloside acid methyl ester
6α-Hydroxygeniposide；Deacetyl asperulosidic acid methyl ester
Methyl deacetylasperulosidate,6-α-Hydroxygeniposide
AC-34628
METHYL (1S,4AS,5S,7AS)-5-HYDROXY-7-(HYDROXYMETHYL)-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,4AH,5H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE
AS-64493
CS-0017048
C17H24O11
DEACETYLASPERULOSIDIC ACID METHYL ESTER
WSGPLSDARZNMCW-FCVLBCLDSA-N
CHEMBL463096
AKOS032962772
CCG-268690
6-Hydroxygeniposide; Deacetylasperulosidic acid methyl ester
52613-28-2

MDL Number

MFCD21364063

FAQ

What regulatory guidelines apply to Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2)?

Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) falls under various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is important to classify and label the compound according to its health, environmental, and physical hazards. In the European Union, the compound must comply with the Regulation (EC) No 1907/2006 on Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), and may require a safety data sheet (SDS). The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may also have specific requirements for its use, handling, and disposal in the United States.

Are there alternatives to Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) in synthesis?

Several alternatives to Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) can be used in synthesis, depending on the specific application. For instance, isomers and analogs such as deacetyl asperuloside (CAS: 56348-42-6) can serve similar functions. Common alternative reagents include methanol esters of other natural products, which may offer similar chemical properties for different reactions.

What is the market or research trend for Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2)?

The market for Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) is showing increasing interest due to its potential in pharmaceutical and cosmetic applications. Research trends indicate a focus on its anti-inflammatory and anti-cancer properties. Market dynamics suggest rising demand, particularly in developing countries where demand for natural products continues to grow. However, price trends are somewhat volatile and depend on supply and demand factors in the global market.

How should waste containing Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) be handled?

Waste containing Deacetyl asperulosidic acid methyl ester (CAS: 52613-28-2) should be handled according to local and national regulations to ensure environmental safety. Waste liquid should be collected in appropriate containers and stored safely. For solid waste, collection and incineration are common methods, but professional waste disposal services may be required to ensure compliance. Proper environmental protection precautions, such as using personal protective equipment (PPE) and following safety data sheets (SDS) guidelines, must be observed throughout the process.