[1,1′-Biphenyl]-4-carboxylic acid, 4-(4,4-difluoro-3-oxooctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-(3aα,4α,5β,6aα)]-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30F2O5
Molecular Weight	484.5316
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

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=CRZDRGWSEDIHRI-YCAMKHIRSA-N

InChI=1S/C28H30F2O5/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/h4-12,21-24H,2-3,13-17H2,1H3/t21-,22-,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H30F2O5
Molecular Weight	484.5316
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:45 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:45 GMT 2023`
Record UNII	P478FYE7MS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

[1,1′-Biphenyl]-4-carboxylic acid, 4-(4,4-difluoro-3-oxooctyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-(3aα,4α,5β,6aα)]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901101913

Created by admin on Sat Dec 16 19:28:45 GMT 2023 , Edited by admin on Sat Dec 16 19:28:45 GMT 2023

PRIMARY

CAS

118583-37-2

Created by admin on Sat Dec 16 19:28:45 GMT 2023 , Edited by admin on Sat Dec 16 19:28:45 GMT 2023

PRIMARY

PUBCHEM

15003114

Created by admin on Sat Dec 16 19:28:45 GMT 2023 , Edited by admin on Sat Dec 16 19:28:45 GMT 2023

PRIMARY

FDA UNII

P478FYE7MS

Created by admin on Sat Dec 16 19:28:45 GMT 2023 , Edited by admin on Sat Dec 16 19:28:45 GMT 2023

PRIMARY