(-)-Praeruptorin B

Basic Information

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CAS Number

4970-26-7

Molecular Formula

C24H26O7

Molecular Weight

426.46 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

Powder

Melting Point

177.5-178.5 ºC

Solubility

Insuluble (8.1E-3 g/L) (25 ºC),

SMILES

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CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C

InChI

InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m1/s1

InChIKey

PNTWXEIQXBRCPS-IOWUNYDSSA-N

LogP

4.392500000000004

Topological Polar Surface Area

92.03999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

835

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(-)-Praeruptorin B
(-)-Anomalin
[ "(-)-Anomalin" ]
Anomalin,(-)-Anomalin,2H,8H-Benzo[1,2- b :3,4- b ']dipyran, 2-butenoic acid deriv
DA-59398
CS-0016081
HMS2198A05
Anomalin
HY-N0947
AKOS040760645
MLS000574876
CHEMBL1610853
SMR000156222
4970-26-7
[(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
REGID_for_CID_10251869

MDL Number

MFCD28100262

FAQ

What are the physical and chemical properties of (-)-Praeruptorin B (CAS: 4970-26-7)?

(-)-Praeruptorin B (CAS: 4970-26-7) is a crystalline compound with a molecular weight of approximately 386.38 g/mol. It has a solubility of about 0.1 mg/mL in DMSO and is slightly soluble in water. Chemically, it is reactive towards acidic conditions and stable under neutral and basic conditions.

How is (-)-Praeruptorin B (CAS: 4970-26-7) typically synthesized?

(-)-Praeruptorin B (CAS: 4970-26-7) is synthesized through a series of reactions starting from natural precursors. Common methods include semi-synthesis and total synthesis using chemical transformation, such as condensation, reduction, and oxidation, with high selectivity and yield, often employing catalysts like palladium complexes.

What industries use (-)-Praeruptorin B (CAS: 4970-26-7)?

(-)-Praeruptorin B (CAS: 4970-26-7) is used in the pharmaceutical industry for its potential as an antispasmodic agent. It is also explored in the food industry as a flavor enhancer and in cosmetics for its antioxidant properties. Basic research and applications in polymer synthesis are also areas of interest.

What precautions should be taken when handling (-)-Praeruptorin B (CAS: 4970-26-7)?

When handling (-)-Praeruptorin B (CAS: 4970-26-7), ensure proper Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. Store in a cool, dry place away from heat and light. Use a fume hood for all handling. In case of spill, clean up using appropriate absorbents and follow the Safety Data Sheet (SDS) guidelines for disposal.