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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H40N2O6
Molecular Weight 608.7233
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERBAMINE

SMILES

[H][C@@]12CC3=CC=C(OC4=CC(C[C@@]5([H])N(C)CCC6=C5C(OC7=C(OC)C=C(CCN1C)C2=C7)=C(OC)C(OC)=C6)=CC=C4O)C=C3

InChI

InChIKey=DFOCUWZXJBAUSQ-URLMMPGGSA-N
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H40N2O6
Molecular Weight 608.7233
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

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
V5KM4XJ0WM
Record Status Validated (UNII)
Record Version