Albiflorin | CAS No. 39011-90-0

Albiflorin

Basic Information

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CAS Number

39011-90-0

Molecular Formula

C23H28O11

Molecular Weight

480.47 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

Melting Point

No data available

Boiling Point

722.1±60.0 °C(Predicted)

Density

1.58±0.1 g/cm3(Predicted)

Flash Point

250.6±26.4 °C

Solubility

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml

Refractive Index

1.662

SMILES

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CC12C[C@@H](O)C3C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(COC(=O)C1=CC=CC=C1)C(=O)O2

InChI

InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12?,13-,14-,15-,16+,17-,19+,21?,22?,23+/m1/s1

InChIKey

QQUHMASGPODSIW-WRBSMJEFSA-N

LogP

-1.5148999999999972

pKa

12.84±0.70(Predicted)

Topological Polar Surface Area

172.20999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

830

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

(1R,3R,4R,6S,9S)-9-[(Benzoyloxy)Methyl]-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-Methyl-7-oxatricyclo[4.3.0.03,9]nonan-8-one
Albiflorin, froM Paeonia lactiflora
ALBIFLORIN
Albiflorin 9-((Benzoyloxy)methyl)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one
Albiflorin std
9-((Benzoyloxy)methyl)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one
[(benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-
4-hydroxy-6-methyl-, (1R, 3R, 4R, 6S)-
Albiflorin
7-Oxatricyclo [4.3.0.03,9] nonan-8-one, 9-
9-((Benzoyloxy)methyl)-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one
Alibiflorin
7-Oxatricyclo[4.3.0.03,9]nonan-8-one,9-[(benzoyloxy)methyl]-1-(b-D-glucopyranosyloxy)-4-hydroxy-6-methyl-, (1R,3R,4R,6S)-
ALBIFLORIN(P)
Paeonia lactiflora Pall.
WAKO016-22201
[(1R,3R,4R,6S,9S)-4-Hydroxy-6-methyl-8-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa
N1404
CID 122173145
Q63399047
C17457
[(1R,3R,4R,6S,9S)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0(3,9)]nonan-9-yl]methyl benzoate
[(1R,3R,4R,6S,9S)-4-HYDROXY-6-METHYL-8-OXO-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-7-OXATRICYCLO[4.3.0.0(3),?]NONAN-9-YL]METHYL BENZOATE

MDL Number

MFCD29477681

Customs Code

29389090

FAQ

What is Albiflorin (CAS: 39011-90-0)?

Albiflorin is a flavonoid glycoside with the chemical formula C21H20O10. It is a white crystalline powder, insoluble in water but soluble in organic solvents. Albiflorin exhibits antioxidant and anti-inflammatory properties, making it a naturally occurring compound with potential pharmacological applications. Its molecular structure includes a hydroxylated flavone backbone linked to a glucose moiety, contributing to its bioactivity.

What are the main uses of Albiflorin (CAS: 39011-90-0)?

Albiflorin is primarily used in pharmaceutical research for its antioxidant and anti-inflammatory effects. It serves as a precursor in the synthesis of other bioactive compounds and is studied for potential therapeutic applications in conditions like oxidative stress and inflammation. Additionally, it is used in industrial settings for natural product extraction and in research to explore flavonoid derivatives' biological activities.

Is Albiflorin (CAS: 39011-90-0) safe?

Albiflorin is generally considered safe when handled properly, with a low toxicity profile. However, like many chemical compounds, it requires standard safety precautions such as wearing gloves and ensuring adequate ventilation during handling. Safety data sheets (SDS) for Albiflorin (CAS 39011-90-0) emphasize avoiding direct skin contact and ingestion, while regulatory standards classify it as non-hazardous under normal conditions.

How should Albiflorin (CAS: 39011-90-0) be stored?

Albiflorin should be stored in a cool, dry place, away from light, in airtight containers to maintain stability. It is best kept at 2-8°C and protected from humidity to prevent degradation. Proper storage conditions ensure its chemical integrity, while precautions include avoiding exposure to moisture and heat to maintain efficacy and safety.