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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO5
Molecular Weight 359.4162
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AKNADININE

SMILES

COC1=CC=C2CC[C@]34N(C)CC[C@]3(CC(=O)C(OC)=C4OC)C2=C1O

InChI

InChIKey=XLWYWPDYNLZUJS-VQTJNVASSA-N
InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO5
Molecular Weight 359.4162
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
V5XGU77PZ9
Record Status Validated (UNII)
Record Version