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Details

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

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

SMILES

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

InChI

InChIKey=RTBJZMMNKXQFDB-URBCHYCLSA-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

Approval Year

Unknown
149124
Name Type Language
2-(3-OXOBUTYL)-3-METHYL-6-((R)2-PROPANAL)-CYCLOHEXANONE, (2S,3R,6S)-
Systematic Name English
CYCLOHEXANEACETALDEHYDE, .ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)-, (.ALPHA.R,1S,3S,4R)-
Preferred Name English
2-((4R)-4-METHYL-2-OXO-3-(3-OXOBUTYL)CYCLOHEXYL)PROPANAL
Systematic Name English
(.ALPHA.R,1S,3S,4R)-.ALPHA.,4-DIMETHYL-2-OXO-3-(3-OXOBUTYL)CYCLOHEXANEACETALDEHYDE
Systematic Name English
(2S,3R,6S)-2-(3-OXOBUTYL)-3-METHYL-6-((R)2-PROPANAL)-CYCLOHEXANONE
Systematic Name English
Code System Code Type Description
FDA UNII
MCF3ZU73BU
Created by admin on Mon Mar 31 22:16:22 GMT 2025 , Edited by admin on Mon Mar 31 22:16:22 GMT 2025
PRIMARY
PUBCHEM
96367506
Created by admin on Mon Mar 31 22:16:22 GMT 2025 , Edited by admin on Mon Mar 31 22:16:22 GMT 2025
PRIMARY
CAS
107466-88-6
Created by admin on Mon Mar 31 22:16:22 GMT 2025 , Edited by admin on Mon Mar 31 22:16:22 GMT 2025
PRIMARY
NIH
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