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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-THUJONE

SMILES

CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2

InChI

InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
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 Mon Mar 31 20:12:16 GMT 2025
Edited
by admin
on Mon Mar 31 20:12:16 GMT 2025
Record UNII
R0SQ9G0DU5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-THUJONE
MI  
Common Name English
NSC-93742
Preferred Name English
ALFA-THUJONE
Common Name English
3-THUJANONE, (1S,4R,5R)-(-)-
Systematic Name English
BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,4R,5R)-
Systematic Name English
THUJONE, .ALPHA.-
Common Name English
.ALPHA.-THUJONE [MI]
Common Name English
ALPHA-THUJONE
Common Name English
(-)-THUJONE
Common Name English
Code System Code Type Description
FDA UNII
R0SQ9G0DU5
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID3026148
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
PUBCHEM
261491
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
CAS
546-80-5
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
MERCK INDEX
m10816
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY Merck Index
NSC
93742
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
CHEBI
9577
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-912-2
Created by admin on Mon Mar 31 20:12:16 GMT 2025 , Edited by admin on Mon Mar 31 20:12:16 GMT 2025
PRIMARY