 Home > Encyclopedia > (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline structure

CAS No:
1263-80-5
Formula:
C38H42N2O6
Chemical Name:
(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline
Synonyms:
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline,3,4,4a,5,16a,17,18,19-octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-,(4aR,16aS)-;Obaberine;Oxyacanthan,6,6′,7,12′-tetramethoxy-2,2′-dimethyl-;(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline;O-Methyloxyacanthine;(+)-Obaberine;N-Methyldihydrococlobine A;(+)-O-Methyloxyacanthine;O-Methylhomothalicrine;O,O-Dimethylthalicrine;O-Methylthalrugosamine;O-Methyloxyacanthin;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline,3,4,4a,5,16a,17,18,19-octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-,[4aR-(4aR*,16aS*)]-;NSC 269190;25356-65-4;27607-22-3

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Description

Obaberine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline Basic Attributes

Molecular Weight：

622.762

Exact Mass：

622.75

DSSTox ID：

DTXSID50155135

Characteristics

PSA：

61.9

XLogP3：

6.7

Melting Point：

139-140 °C

Computed Properties

Molecular Weight:622.7
XLogP3:6.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:622.30428706
Monoisotopic Mass:622.30428706
Topological Polar Surface Area:61.9
Heavy Atom Count:46
Complexity:979
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline

Description
Basic Attributes
Characteristics
Computed Properties

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline

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