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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O2
Molecular Weight 210.3126
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ETHYL-3-METHYL-2-(3-OXOBUTYL)CYCLOHEXANONE, (2S,3R,6R)-

SMILES

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

InChI

InChIKey=DYGZNDLZBYIWGA-JLLWLGSASA-N
InChI=1S/C13H22O2/c1-4-11-7-5-9(2)12(13(11)15)8-6-10(3)14/h9,11-12H,4-8H2,1-3H3/t9-,11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H22O2
Molecular Weight 210.3126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:35 UTC 2023
Edited
by admin
on Sat Dec 16 08:14:35 UTC 2023
Record UNII
A1S8MHU69N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ETHYL-3-METHYL-2-(3-OXOBUTYL)CYCLOHEXANONE, (2S,3R,6R)-
Systematic Name English
CYCLOHEXANONE, 6-ETHYL-3-METHYL-2-(3-OXOBUTYL)-, (2S,3R,6R)-
Systematic Name English
DIHYDROARTEMISININ IMPURITY H
Common Name English
(3R)-6-ETHYL-3-METHYL-2-(3-OXOBUTYL)CYCLOHEXANONE
Systematic Name English
Code System Code Type Description
CAS
958447-27-3
Created by admin on Sat Dec 16 08:14:35 UTC 2023 , Edited by admin on Sat Dec 16 08:14:35 UTC 2023
PRIMARY
FDA UNII
A1S8MHU69N
Created by admin on Sat Dec 16 08:14:35 UTC 2023 , Edited by admin on Sat Dec 16 08:14:35 UTC 2023
PRIMARY
PUBCHEM
24741988
Created by admin on Sat Dec 16 08:14:35 UTC 2023 , Edited by admin on Sat Dec 16 08:14:35 UTC 2023
PRIMARY
Related Record Type Details
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