Asperuloside | CAS No. 14259-45-1

Asperuloside

Basic Information

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CAS Number

14259-45-1

Molecular Formula

C18H22O11

Molecular Weight

414.4 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

131-132°

Solubility

Methanol; Water

Specific Rotation

D25 -198.6° (c = 1.44 in water)

SMILES

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CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChIKey

IBIPGYWNOBGEMH-DILZHRMZSA-N

LogP

-2.295999999999998

Topological Polar Surface Area

161.21 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

746

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

-20℃

Synonyms & References

English

C09769
[(2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate
UNII-V3CFI02X39
HMS2206P12
1ST40008
rubichloric acid
Q27105860
V3CFI02X39
((2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta(cd)inden-4-yl)methyl acetate
NSC-31760
CHEMBL461910
NCGC00380739-01
IBIPGYWNOBGEMH-DILZHRMZSA-N
MLS002472968
AKOS037514973
1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(?-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-
AC1Q608R
SMR001397075
(2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE
ASPERULOSIDE [MI]
Asperuloside
AC1L376M
14259-45-1
NSC 31760
(2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate
CS-0016802
DTXSID70878339
HY-N1382
(2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(beta-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE
DTXCID801016393
EINECS 238-137-5

MDL Number

MFCD02094172

FAQ

What regulatory guidelines apply to asperuloside (CAS: 14259-45-1)?

Asperuloside (CAS: 14259-45-1) may fall under various regulatory guidelines depending on its intended use. It is important to comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for classification and labeling. In the European Union, REACH regulations governing the registration, evaluation, authorization, and restriction of chemicals apply. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the handling and disposal of chemicals. Before use, consult the latest regulatory databases and guidelines for specific requirements.

Are there alternatives to asperuloside (CAS: 14259-45-1) in synthesis?

There are several alternatives to asperuloside (CAS: 14259-45-1) available for synthesis. Analogous compounds such as euphorbin A and euphorbin B are often used as alternatives. Isomers of asperuloside, such as 6,7-dihydrodehydrocostus lactone, can also be considered. Common alternative reagents include costunolide and costunolide methyl ether, which can serve as precursors in the synthesis of asperuloside or related compounds.

What is the market or research trend for asperuloside (CAS: 14259-45-1)?

The market for asperuloside (CAS: 14259-45-1) is growing due to increasing interest in natural products and their medicinal applications. Research trends focus on its potential uses in cosmetics and pharmaceuticals. Recent studies have explored its anti-inflammatory and antioxidant properties. Market demand is driven by its incorporation in functional foods and nutraceuticals. However, price trends and industry demand can fluctuate based on supply and consumer interest.

How should waste containing asperuloside (CAS: 14259-45-1) be handled?

Waste containing asperuloside (CAS: 14259-45-1) should be handled according to local regulations. Collection of waste should be done in appropriate containers, and segregation of waste is necessary to ensure safe disposal. Incineration or professional waste disposal services are recommended. Environmental protection precautions include proper containment to prevent leakage or spillage. Ensure all waste is treated in accordance with the Globally Harmonized System (GHS) and other relevant safety regulations to minimize environmental impact.