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 .BETA.-CADINENE

SMILES

[H][C@@]12CC(C)=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C

InChI

InChIKey=USDOQCCMRDNVAH-KKUMJFAQSA-N
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/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
Z07LA0GY4J
Record Status Validated (UNII)
Record Version