[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30O5
Molecular Weight	482.5669
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of [(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate

Structure Search

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[C@H](\C=C\[C@@H](O)CCC5=CC=CC=C5)[C@@]1([H])CC(=O)O2

InChI

InChIKey=ONMMRZIJKPIGTG-UAFSWDGMSA-N

InChI=1S/C31H30O5/c32-25(16-11-21-7-3-1-4-8-21)17-18-26-27-19-30(33)35-29(27)20-28(26)36-31(34)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h1-10,12-15,17-18,25-29,32H,11,16,19-20H2/b18-17+/t25-,26+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H30O5
Molecular Weight	482.5669
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:13:41 GMT 2023` Edited by `admin` on `Sat Dec 16 20:13:41 GMT 2023`
Record UNII	6Z4M7H9MT7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate

Common Name

English

[1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester

Systematic Name

English

[1,1′-Biphenyl]-4-carboxylic acid, hexahydro-4-(3-hydroxy-5-phenyl-1-pentenyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-[3aα,4α(1E,3S*),5β,6aα]]-

Common Name

English

Code System Code Type Description

FDA UNII

6Z4M7H9MT7

Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023

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CAS

41639-73-0

Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023

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PUBCHEM

10322987

Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023

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