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Details

Stereochemistry RACEMIC
Molecular Formula C20H27NO2
Molecular Weight 313.4339
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LS-115509

SMILES

CCO[C@@]1(CCN(CCC2=CC=CC=C2)C[C@H]1C)C3=CC=CO3

InChI

InChIKey=INLMDDDTZIKNNI-YLJYHZDGSA-N
InChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3/t17-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H27NO2
Molecular Weight 313.4339
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
XG2JQX2JDJ
Record Status Validated (UNII)
Record Version