U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ABQ2CB7VAC
Record Status Validated (UNII)
Record Version