ICI-79939, (1R,2R,3R,5S)-(3'S)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29FO6
Molecular Weight	408.4605
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of ICI-79939, (1R,2R,3R,5S)-(3'S)-

Structure Search

SMILES

O[C@H](COC1=CC=C(F)C=C1)\C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O

InChI

InChIKey=CVJGVCBPOYDYKS-GQQOSRFTSA-N

InChI=1S/C22H29FO6/c23-15-7-10-17(11-8-15)29-14-16(24)9-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-12,16,18-21,24-26H,2,4-6,13-14H2,(H,27,28)/b3-1-,12-9+/t16-,18+,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H29FO6
Molecular Weight	408.4605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:50:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:45 GMT 2025`
Record UNII	H0E32V45MQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICI-79939, (3S)-(±)-

Preferred Name

English

ICI-79939, (1R,2R,3R,5S)-(3'S)-

Common Name

English

5-HEPTENOIC ACID, 7-(2-(4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-, (1-ALPHA-(Z),2-BETA-(1E,3S*),3-ALPHA,5-ALPHA)-

Common Name

English

5-HEPTENOIC ACID, 7-(2-(4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-, (1.ALPHA.(Z),2.BETA.(1E,3S*),3.ALPHA.,5.ALPHA.)-(±)-

Systematic Name

English

5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-2-((1E,3S)-4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-3,5-DIHYDROXYCYCLOPENTYL)-, (5Z)-REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119058383

Created by admin on Mon Mar 31 21:50:45 GMT 2025 , Edited by admin on Mon Mar 31 21:50:45 GMT 2025

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CAS

40666-04-4

Created by admin on Mon Mar 31 21:50:45 GMT 2025 , Edited by admin on Mon Mar 31 21:50:45 GMT 2025

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FDA UNII

H0E32V45MQ

Created by admin on Mon Mar 31 21:50:45 GMT 2025 , Edited by admin on Mon Mar 31 21:50:45 GMT 2025

PRIMARY