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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O
Molecular Weight 194.3132
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEASPIRANE A, (+)-

SMILES

C[C@H]1CC[C@@]2(O1)C(C)=CCCC2(C)C

InChI

InChIKey=GYUZHTWCNKINPY-WCQYABFASA-N
InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m0/s1

HIDE SMILES / InChI

Approval Year