(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE

Modify Date: 2025-08-23 14:58:49

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure
(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE structure
 Common Name (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 Number 55444-68-3 Molecular Weight 406.471
Density 1.3±0.1 g/cm3 Boiling Point 609.9±55.0 °C at 760 mmHg
Molecular Formula C25H26O5 Melting Point N/A
MSDS N/A Flash Point 209.1±25.0 °C

 Names

Name [(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 609.9±55.0 °C at 760 mmHg
Molecular Formula C25H26O5
Molecular Weight 406.471
Flash Point 209.1±25.0 °C
Exact Mass 406.178009
PSA 72.83000
LogP 3.62
Vapour Pressure 0.0±1.8 mmHg at 25°C
Index of Refraction 1.612
InChIKey GWKXXTFDNXEANF-ONKQBBKDSA-N
SMILES O=C1CC2C(CC(OC(=O)c3ccccc3)C2C=CC(O)CCc2ccccc2)O1

 Synthetic Route

[(3aR,4R,5R,6aS)-2-oxo-4-(3-oxo-5-phenylpent-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate structure

[(3aR,4R,5R,6aS...

CAS#:55076-60-3

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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 Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522
[(3aR,4R,5R,6aS)-2-oxo-4-(3-oxo-5-phenylpent-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate structure

[(3aR,4R,5R,6aS...

CAS#:55076-60-3

~%

benzoic acid (3aR,4R,5R,6aS)-4-((E)-(R)-3-hydroxy-5-phenyl-pent-1-enyl)-2-oxo-hexahydro-cyclopenta[b]furan-5-yl ester structure

benzoic acid (3...

CAS#:55516-35-3

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: SANDOZ AG Patent: EP2143712 A1, 2010 ; Location in patent: Page/Page column 54 ;
Cinnamic acid structure

Cinnamic acid

CAS#:140-10-3

~%

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522
Methyl 3-phenylpropanoate structure

Methyl 3-phenyl...

CAS#:103-25-3

~%

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522
Dimethyl (2-oxo-4-phenylbutyl)phosphonate structure

Dimethyl (2-oxo...

CAS#:41162-19-0

~%

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522
Hydrocinnamic acid structure

Hydrocinnamic acid

CAS#:501-52-0

~%

(3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE Structure

(3AR,4R,5R,6AS)...

CAS#:55444-68-3

Literature: DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522

 Synonyms

2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-
(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
(3aR,4R,5R,6aS)-4-[(1E,3S)-3-Hydroxy-5-phenyl-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
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
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Chemsrc provides CAS#:55444-68-3 MSDS, density, melting point, boiling point, structure, etc. Its name 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>> amp version: (3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE

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