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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-IRONE, TRANS-(-)-

SMILES

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

InChI

InChIKey=JZQOJFLIJNRDHK-UULPFXLMSA-N
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(-)-(2R,6R)-TRANS-.ALPHA.-IRONE
Preferred Name English
.ALPHA.-IRONE, TRANS-(-)-
Common Name English
3-BUTEN-2-ONE, 4-((1R,5R)-2,5,6,6-TETRAMETHYL-2-CYCLOHEXEN-1-YL)-, (3E)-
Systematic Name English
(-)-TRANS-.ALPHA.-IRONE
Common Name English
Code System Code Type Description
CAS
35124-14-2
Created by admin on Mon Mar 31 22:57:31 GMT 2025 , Edited by admin on Mon Mar 31 22:57:31 GMT 2025
PRIMARY
FDA UNII
3039381865
Created by admin on Mon Mar 31 22:57:31 GMT 2025 , Edited by admin on Mon Mar 31 22:57:31 GMT 2025
PRIMARY
PUBCHEM
10219918
Created by admin on Mon Mar 31 22:57:31 GMT 2025 , Edited by admin on Mon Mar 31 22:57:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID70415203
Created by admin on Mon Mar 31 22:57:31 GMT 2025 , Edited by admin on Mon Mar 31 22:57:31 GMT 2025
PRIMARY
NIH
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