(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate

Basic Information

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CAS Number

55444-68-3

Molecular Formula

C25H26O5

Molecular Weight

406.48 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

Melting Point

78-81 ºC

Density

1.25±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (4.9E-3 g/L) (25 ºC),

SMILES

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O[C@@H](CCC1=CC=CC=C1)C=C[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H26O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,19-23,26H,11-12,15-16H2/b14-13+/t19-,20+,21+,22+,23-/m0/s1

InChIKey

GWKXXTFDNXEANF-ONKQBBKDSA-N

LogP

3.7135000000000025

Topological Polar Surface Area

72.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]-, (3aR,4R,5R,6aS)-
(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benz
(3aR,4R,5R,6aS)-4-[3S-hydroxy-5-phenyl-1E-pentenyl]-5-(benzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(E)-(3S)-3-hydroxy-5-phenyl-1-pentenyl]-hexahydro-2H-cyclopenta[b]furan-2-one
benzoic acid (3aR,4R,5R,6aS)-4-((E)-(S)-3-hydroxy-5-phenyl-pent-1-enyl)-2-oxo-hexahydro-cyclopenta[b]furan-5-yl ester

MDL Number

MFCD23115440

FAQ

What is (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3)?

This compound is a complex organic molecule with a specific stereochemistry. It is a derivative of cyclopenta[b]furan and benzoate. The molecule contains multiple functional groups and exhibits aromatic and conjugated systems, contributing to its physical and chemical properties. It is often used in pharmaceutical and medicinal chemistry research due to its structural complexity and potential biological activities.

What are the main uses of (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3)?

This compound is primarily used in pharmaceutical research and development, as a tool compound for studying biological pathways and as a potential lead molecule for drug discovery. It can also be used in medicinal chemistry for understanding the interactions between molecules and biological targets.

Is (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3) safe?

Safety depends on the context of use. When used in controlled laboratory settings, it is generally safe, but appropriate precautions should be taken. Users should follow standard safety protocols, wear appropriate personal protective equipment, and ensure proper handling and disposal. This compound may require specific storage conditions to maintain its stability and safety.

How should (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to use dark, airtight containers to protect it from light and moisture. The storage temperature should be maintained between 15°C to 25°C. Care should be taken to avoid any physical damage to the container to prevent potential chemical reactions or degradation.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate | CAS No. 55444-68-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Density

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Synonyms & References

English

MDL Number

FAQ

What is (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3)?

What are the main uses of (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3)?

Is (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3) safe?

How should (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (CAS: 55444-68-3) be stored?

Related Compounds

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