4-KETORETINOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H28O2
Molecular Weight	300.4351
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of 4-KETORETINOL

Structure Search

SMILES

CC(=C/CO)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C

InChI

InChIKey=PLIUCYCUYQIBDZ-RMWYGNQTSA-N

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+

HIDE SMILES / InChI

Molecular Formula	C20H28O2
Molecular Weight	300.4351
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:32:44 GMT 2025` Edited by `admin` on `Mon Mar 31 19:32:44 GMT 2025`
Record UNII	6FFM6M3NPT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-KETORETINOL

Common Name

English

4-KETO RETINOL

Preferred Name

English

3-((1E,3E,5E,7E)-9-HYDROXY-3,7-DIMETHYLNONA-1,3,5,7-TETRAEN-1-YL)-2,4,4-TRIMETHYLCYCLOHEX-2-ENONE

Systematic Name

English

RETIN-4-ONE, 15-HYDROXY-

Common Name

English

Code System Code Type Description

DRUG BANK

DB02699

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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FDA UNII

6FFM6M3NPT

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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CHEBI

44597

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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PUBCHEM

5289090

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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EPA CompTox

DTXSID80866949

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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CAS

62702-55-0

Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025

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