 Home > Encyclopedia > (4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol

(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol

(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol structure

CAS No:
479-37-8
Formula:
C36H38N2O6
Chemical Name:
(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol
Synonyms:
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-12,22-diol,3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-,(4aS,16aR)-;Obamegine;Berbaman-7,12-diol,6,6′-dimethoxy-2,2′-dimethyl-;(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol;Stepholine;16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-12,22-diol,3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-,[4aS-(4aR*,16aS*)]-;(+)-Obamegine;NSC 123123

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Description

Obamegine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol Basic Attributes

Molecular Weight：

594.708

Exact Mass：

594.70

UNII：

75K1EI2HDP

Characteristics

PSA：

83.9

XLogP3：

5.7

Melting Point：

164-166 °C

Drug Information

MeSH Entry Terms：

obamegine

Computed Properties

Molecular Weight:594.7
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:594.27298694
Monoisotopic Mass:594.27298694
Topological Polar Surface Area:83.9
Heavy Atom Count:44
Complexity:948
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

(4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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]isoquinoline-12,22-diol

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