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114784-59-7
Catalog No.:AA01EPCP

114784-59-7 | 3,4,4aS,5,16aR,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2’,3’:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol-4-nitrobenzoate

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10mg
≥98% (mixture of enantiomers)
in stock  
$183.00   $128.00
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50mg
≥98% (mixture of enantiomers)
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$866.00   $606.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01EPCP
Chemical Name:
3,4,4aS,5,16aR,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2’,3’:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol-4-nitrobenzoate
CAS Number:
114784-59-7
Molecular Formula:
C44H43N3O9
Molecular Weight:
757.8269
SMILES:
COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC(=O)c2ccc(cc2)[N+](=O)[O-])cc1)C
Properties
Computed Properties
 
Complexity:
1320  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
11  
Rotatable Bond Count:
6  
XLogP3:
7.6  

Literature

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry 20121115

Title: Berbamine derivatives: a novel class of compounds for anti-leukemia activity.

Journal: European journal of medicinal chemistry 20090801

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Tags:114784-59-7 Molecular Formula|114784-59-7 MDL|114784-59-7 SMILES|114784-59-7 3,4,4aS,5,16aR,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2’,3’:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol-4-nitrobenzoate