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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

Molecular Formula C13H22O
Molecular Weight 194.3132
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U3NXN11I9X
Record Status Validated (UNII)
Record Version