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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17NO3
Molecular Weight 295.3325
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Xylopine, (-)-

SMILES

[H][C@@]12CC3=C(C=CC(OC)=C3)C4=C1C(CCN2)=CC5=C4OCO5

InChI

InChIKey=RFWCCZDSXIZJMF-CQSZACIVSA-N
InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H17NO3
Molecular Weight 295.3325
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NNZ7TH999H
Record Status Validated (UNII)
Record Version