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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H42N2O6
Molecular Weight 622.7499
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTETRANDRINE, (+)-

SMILES

[H][C@]12CC3=CC=C(OC4=CC(C[C@@]5([H])N(C)CCC6=CC(OC)=C(OC)C(OC7=CC1=C(CCN2C)C=C7OC)=C56)=CC=C4OC)C=C3

InChI

InChIKey=WVTKBKWTSCPRNU-XZWHSSHBSA-N
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H42N2O6
Molecular Weight 622.7499
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
84T861CP2N
Record Status Validated (UNII)
Record Version