U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O4
Molecular Weight 254.3221
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)CYCLOHEXANEACETIC ACID, (.ALPHA.R,1S,3S,4R)-

SMILES

C[C@H]([C@@H]1CC[C@@H](C)[C@H](CCC(C)=O)C1=O)C(O)=O

InChI

InChIKey=SRIAUFRKRAJBGZ-YJQGPUDQSA-N
InChI=1S/C14H22O4/c1-8-4-6-12(10(3)14(17)18)13(16)11(8)7-5-9(2)15/h8,10-12H,4-7H2,1-3H3,(H,17,18)/t8-,10-,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22O4
Molecular Weight 254.3221
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 Mon Mar 31 22:07:08 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:08 GMT 2025
Record UNII
98Z8M20H81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)CYCLOHEXANEACETIC ACID, (.ALPHA.R,1S,3S,4R)-
Common Name English
CYCLOHEXANEACETIC ACID, .ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)-, (.ALPHA.R,1S,3S,4R)-
Preferred Name English
DIHYDROARTEMISININ IMPURITY F
Common Name English
2-((4R)-4-METHYL-2-OXO-3-(3-OXOBUTYL)CYCLOHEXYL)PROPIONIC ACID
Systematic Name English
CYCLOHEXANEACETIC ACID, .ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)-, (1S-(1.ALPHA.(S*),3.ALPHA.,4.BETA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
21575634
Created by admin on Mon Mar 31 22:07:08 GMT 2025 , Edited by admin on Mon Mar 31 22:07:08 GMT 2025
PRIMARY
CAS
173427-03-7
Created by admin on Mon Mar 31 22:07:08 GMT 2025 , Edited by admin on Mon Mar 31 22:07:08 GMT 2025
PRIMARY
FDA UNII
98Z8M20H81
Created by admin on Mon Mar 31 22:07:08 GMT 2025 , Edited by admin on Mon Mar 31 22:07:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY