[1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester

Details

Stereochemistry	EPIMERIC
Molecular Formula	C28H32F2O5
Molecular Weight	486.5475
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester

Structure Search

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[C@H](CCC(O)C(F)(F)CCCC)[C@@]1([H])CC(=O)O2

InChI

InChIKey=KCPIRLYUPYHAQU-CHJXOBGISA-N

InChI=1S/C28H32F2O5/c1-2-3-15-28(29,30)25(31)14-13-21-22-16-26(32)34-24(22)17-23(21)35-27(33)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21-25,31H,2-3,13-17H2,1H3/t21-,22-,23-,24+,25?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H32F2O5
Molecular Weight	486.5475
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:19:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:19:44 GMT 2023`
Record UNII	LV4X65PQ5C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester

Systematic Name

English

(3aR,4R,5R,6aS)-4-(4,4-Difluoro-3-hydroxyoctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl [1,1′-biphenyl]-4-carboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

LV4X65PQ5C

Created by admin on Sat Dec 16 19:19:44 GMT 2023 , Edited by admin on Sat Dec 16 19:19:44 GMT 2023

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CAS

1332572-74-3

Created by admin on Sat Dec 16 19:19:44 GMT 2023 , Edited by admin on Sat Dec 16 19:19:44 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

15003116

Created by admin on Sat Dec 16 19:19:44 GMT 2023 , Edited by admin on Sat Dec 16 19:19:44 GMT 2023

PRIMARY