Picroside III | CAS No. 64461-95-6

Picroside III

Basic Information

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CAS Number

64461-95-6

Molecular Formula

C25H30O13

Molecular Weight

538.5 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White powder

Boiling Point

829.8±65.0 °C(Predicted)

Density

1.61

Solubility

Methanol,Water

SMILES

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O=C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@]3([H])[C@@]([C@H](O)[C@@]4([H])[C@]3(CO)O4)([H])C=CO2)O1)/C=C/C5=CC=C(O)C(OC)=C5

InChI

InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)27)3-5-16(28)35-9-15-19(30)20(31)21(32)24(36-15)37-23-17-12(6-7-34-23)18(29)22-25(17,10-26)38-22/h2-8,12,15,17-24,26-27,29-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18+,19-,20+,21-,22+,23+,24+,25-/m1/s1

InChIKey

DPHFMUYFANVRJL-JCUBBWBISA-N

LogP

-1.6117999999999961

pKa

9.74±0.31(Predicted)

Topological Polar Surface Area

197.12999999999997 Å²

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

912

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

[(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyloxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
Picroside III
(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside 6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
[(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-Methoxyphenyl)propenoyloxy]-1aβ-(hydroxyMethyl)oxireno[4,5]cy
b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymet...
Picroside-Ⅲ
Picrosid-III
A14581
[(1R,2R,4R,5S,6R,10R)-2-(Hydroxymethyl)-10-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-
Oxireno[4,5]cyclopenta[1,2-c]pyran, β-D-glucopyranoside deriv
AMphicoside Ⅲ
Berberine III
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
Picroside III >=95% (LC/MS-ELSD)

MDL Number

MFCD10566631

FAQ

What are the physical and chemical properties of Picroside III (CAS: 64461-95-6)?

Picroside III is a crystalline compound with a molecular weight of approximately 496.34 g/mol. It has a high solubility in water and ethanol. Picroside III is relatively stable under normal conditions but shows some reactivity towards strong oxidizing agents. This compound is commonly encountered in traditional Chinese medicine and is used as a natural product in various pharmaceutical applications.

How is Picroside III (CAS: 64461-95-6) typically synthesized?

Picroside III is synthesized through the reduction of picroside II using lithium aluminum hydride (LAH) as a reducing agent. The reaction is typically carried out in anhydrous ether under controlled conditions. The synthetic process requires careful handling of LAH to prevent side reactions and ensure high yield and selectivity.

What industries use Picroside III (CAS: 64461-95-6)?

Picroside III is primarily used in the pharmaceutical industry for its potential anti-inflammatory and antiviral properties. It is also utilized in the food industry as a natural flavor enhancer and in cosmetic products for its antioxidant and skin-protective effects. Additionally, Picroside III is studied for its applications in polymer synthesis and as a component in sensors and semiconductors.

What precautions should be taken when handling Picroside III (CAS: 64461-95-6)?

When handling Picroside III, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.