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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3511
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-GUAIENE

SMILES

C[C@@H]1CCC2=C1C[C@H](CC[C@H]2C)C(C)=C

InChI

InChIKey=ADIDQIZBYUABQK-UPJWGTAASA-N
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3511
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 Thu Jul 06 13:44:52 UTC 2023
Edited
by admin
on Thu Jul 06 13:44:52 UTC 2023
Record UNII
ABQ2CB7VAC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-GUAIENE
Common Name English
GUAIA-1(5),11-DIENE
Common Name English
AZULENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-1,4-DIMETHYL-7-(1-METHYLETHENYL)-, (1S,4S,7R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5052046
Created by admin on Thu Jul 06 13:44:52 UTC 2023 , Edited by admin on Thu Jul 06 13:44:52 UTC 2023
PRIMARY
CAS
3691-12-1
Created by admin on Thu Jul 06 13:44:52 UTC 2023 , Edited by admin on Thu Jul 06 13:44:52 UTC 2023
PRIMARY
PUBCHEM
6429358
Created by admin on Thu Jul 06 13:44:52 UTC 2023 , Edited by admin on Thu Jul 06 13:44:52 UTC 2023
PRIMARY
FDA UNII
ABQ2CB7VAC
Created by admin on Thu Jul 06 13:44:52 UTC 2023 , Edited by admin on Thu Jul 06 13:44:52 UTC 2023
PRIMARY
CHEBI
63443
Created by admin on Thu Jul 06 13:44:52 UTC 2023 , Edited by admin on Thu Jul 06 13:44:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Sesquiterpene Class