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Details

Stereochemistry EPIMERIC
Molecular Formula C19H27NO5
Molecular Weight 355.4584
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0
Stereo Comments Diastereomixture

SHOW SMILES / InChI
Structure of 1,3,4,6,7,11B-HEXAHYDRO-2-HYDROXY-9,10-DI(METHOXY-D3)-.ALPHA.-METHYL-2H-BENZO(A)QUINOLIZINE-3-PROPANOIC ACID, (2R,3S,11BS)-REL-

SMILES

[2H]C([2H])([2H])OC1=C(OC([2H])([2H])[2H])C=C2[C@H]3C[C@H](O)[C@H](CC(C)C(O)=O)CN3CCC2=C1

InChI

InChIKey=YKUYTZDBKXGBRU-KXZLISBASA-N
InChI=1S/C19H27NO5/c1-11(19(22)23)6-13-10-20-5-4-12-7-17(24-2)18(25-3)8-14(12)15(20)9-16(13)21/h7-8,11,13,15-16,21H,4-6,9-10H2,1-3H3,(H,22,23)/t11?,13-,15-,16+/m1/s1/i2D3,3D3

HIDE SMILES / InChI

Molecular Formula C19H27NO5
Molecular Weight 355.4584
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
PUK32WSH6J
Record Status Validated (UNII)
Record Version