Isosilybin B | CAS No. 142796-22-3

Isosilybin B

Basic Information

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CAS Number

142796-22-3

Molecular Formula

C25H22O10

Molecular Weight

482.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Powder

Solubility

Methanol,DMSO,Acetontrile

SMILES

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COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1

InChIKey

FDQAOULAVFHKBX-WAABAYLZSA-N

LogP

2.3627000000000016

Topological Polar Surface Area

155.14000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

750

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

4H-1-Benzopyran-4-one,2-[(2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
4H-1-Benzopyran-4-one,2-[(2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydr
Isosilybin B
(2R,3R)-3,5,7-Trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[1,4]dioxin-6-yl]-4-chromanone
(-)-Isosilybin B,Silybin a2
Isosilybin BSilybin A2
ISOSILYBIN B (CONSTITUENT OF MILK THISTLE)
(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
HY-N7045
142796-22-3
ISOSILYBIN B [MI]
BDBM50526628
SCHEMBL20152108
E87190
Q27251722
UNII-15EH97604R
ISOSILYBIN B (CONSTITUENT OF MILK THISTLE) [DSC]
DTXSID80447055
FS-7229
Silybin A2
CS-0101838
Isosilibinin B
CHEMBL3542340
Isosilybin B, analytical standard
AKOS040760488
15EH97604R
DA-64573
4H-1-Benzopyran-4-one, 2-((2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
1ST166037
(2R,3R)-3,5,7-Trihydroxy-2-((2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one

MDL Number

MFCD18783097

FAQ

What are the physical and chemical properties of Isosilybin B (CAS: 142796-22-3)?

Isosilybin B (CAS: 142796-22-3) is a crystalline compound with a molecular weight of approximately 436.38 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. Isosilybin B exhibits moderate reactivity, particularly towards acidic conditions. It is often used in the pharmaceutical industry for its antioxidant and anti-inflammatory properties.

How is Isosilybin B (CAS: 142796-22-3) typically synthesized?

Isosilybin B (CAS: 142796-22-3) can be synthesized through a series of reactions involving silybin and subsequent modifications. Common synthesis methods include enzymatic transformations and chemical derivatizations. The process typically involves the use of mild organic solvents and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use Isosilybin B (CAS: 142796-22-3)?

Isosilybin B (CAS: 142796-22-3) is primarily used in the pharmaceutical industry for its potential health benefits. It is also explored in the food industry as a natural antioxidant and in the cosmetics industry for its skin conditioning properties. Additionally, its antioxidant properties make it applicable in the polymer industry for improving the stability of polymer products.

What precautions should be taken when handling Isosilybin B (CAS: 142796-22-3)?

When handling Isosilybin B (CAS: 142796-22-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight. Use fume hoods during handling to minimize exposure to vapors. In case of a spill, clean up immediately using appropriate absorbent materials and follow local laboratory safety guidelines. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.