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Details

Stereochemistry RACEMIC
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .GAMMA.-IRONE, CIS-(±)-

SMILES

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

InChI

InChIKey=MVPDTCQYNRKWJA-UZPJXDOOSA-N
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:08:53 GMT 2023
Edited
by admin
on Fri Dec 15 19:08:53 GMT 2023
Record UNII
IOV6OG0LC8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.GAMMA.-IRONE, CIS-(±)-
Common Name English
3-BUTEN-2-ONE, 4-(2,2,3-TRIMETHYL-6-METHYLENECYCLOHEXYL)-, (1.ALPHA.(E),3.ALPHA.)-(±)-
Systematic Name English
3-BUTEN-2-ONE, 4-((1R,3S)-2,2,3-TRIMETHYL-6-METHYLENECYCLOHEXYL)-, (3E)-REL-
Systematic Name English
(±)-CIS-.GAMMA.-IRONE
Common Name English
Code System Code Type Description
PUBCHEM
6433146
Created by admin on Fri Dec 15 19:08:53 GMT 2023 , Edited by admin on Fri Dec 15 19:08:53 GMT 2023
PRIMARY
FDA UNII
IOV6OG0LC8
Created by admin on Fri Dec 15 19:08:53 GMT 2023 , Edited by admin on Fri Dec 15 19:08:53 GMT 2023
PRIMARY
CAS
117894-47-0
Created by admin on Fri Dec 15 19:08:53 GMT 2023 , Edited by admin on Fri Dec 15 19:08:53 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY