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

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

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

CAS No:
479-36-7
Formula:
C35H36N2O6
Chemical Name:
(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol
Synonyms:
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol,3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-17-methyl-,(4aR,16aS)-;Oxyacanthan-7,12′-diol,6,6′-dimethoxy-2-methyl-;Daphnoline;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline,oxyacanthan-7,12′-diol deriv.;(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol;Trilobamine;Trilobamin;(+)-Daphnoline;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol,3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-17-methyl-,[4aR-(4aR*,16aS*)]-

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Description

Daphnoline is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

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

Molecular Weight：

580.681

Exact Mass：

580.67

UNII：

1I098GKO6U

NSC Number：

93673

Characteristics

PSA：

92.6

XLogP3：

5.5

Density：

1.248±0.06 g/cm3(Predicted)

Melting Point：

194-196 °C

Drug Information

MeSH Entry Terms：

daphnoline

Computed Properties

Molecular Weight:580.7
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:580.25733687
Monoisotopic Mass:580.25733687
Topological Polar Surface Area:92.6
Heavy Atom Count:43
Complexity:917
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon tetrabromide; formula sodium hypochlorite; no chemical name; manganese iv oxide; pentanal; n-methyl-2-pyrrolidone

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

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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