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Details

Stereochemistry EPIMERIC
Molecular Formula C14H22O3
Molecular Weight 238.3227
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-Oxobutyl)-3-Methyl-6-[(R)-2-propanal]cyclohexanone, (2S,3R,6RS)-

SMILES

C[C@@H](C=O)C1CC[C@@H](C)[C@H](CCC(C)=O)C1=O

InChI

InChIKey=RTBJZMMNKXQFDB-AFEADNKKSA-N
InChI=1S/C14H22O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13H,4-7H2,1-3H3/t9-,10+,12+,13?/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22O3
Molecular Weight 238.3227
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:19:25 GMT 2025
Edited
by admin
on Wed Apr 02 17:19:25 GMT 2025
Record UNII
R8G96B6RCE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diketo aldehyde impurity of dihydroartemisinin
Preferred Name English
2-(3-Oxobutyl)-3-Methyl-6-[(R)-2-propanal]cyclohexanone, (2S,3R,6RS)-
Systematic Name English
(2S,3R,6RS)-2-(3-Oxobutyl)-3-Methyl-6-[(R)-2-propanal]cyclohexanone
Systematic Name English
(?R,3S,4R)-?,4-Dimethyl-2-oxo-3-(3-oxobutyl)cyclohexaneacetaldehyde
Systematic Name English
Cyclohexaneacetaldehyde, ?,4-dimethyl-2-oxo-3-(3-oxobutyl)-, (?R,3S,4R)-
Systematic Name English
Code System Code Type Description
CAS
1093625-96-7
Created by admin on Wed Apr 02 17:19:25 GMT 2025 , Edited by admin on Wed Apr 02 17:19:25 GMT 2025
PRIMARY
PUBCHEM
71751369
Created by admin on Wed Apr 02 17:19:25 GMT 2025 , Edited by admin on Wed Apr 02 17:19:25 GMT 2025
PRIMARY
FDA UNII
R8G96B6RCE
Created by admin on Wed Apr 02 17:19:25 GMT 2025 , Edited by admin on Wed Apr 02 17:19:25 GMT 2025
PRIMARY