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

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

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

CAS No:
1183-76-2
Formula:
C36H38N2O6
Chemical Name:
(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol
Synonyms:
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol,3,4,4a,5,16a,17,18,19-octahydro-9,21,26-trimethoxy-17-methyl-,(4aR,16aS)-;Oxyacanthan-7-ol,6,6′,12′-trimethoxy-2-methyl-;Daphnandrine;(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol;O12′-Methyldaphnoline;(+)-Daphnandrine;519-51-7

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Description

Daphnandrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

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

Molecular Weight：

594.69672

Exact Mass：

594.70

UNII：

P9909Y937X

Characteristics

PSA：

81.6

XLogP3：

5.9

Density：

1.212±0.06 g/cm3(Predicted)

Boiling Point：

720.1±60.0 °C(Predicted)

Computed Properties

Molecular Weight:594.7
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:594.27298694
Monoisotopic Mass:594.27298694
Topological Polar Surface Area:81.6
Heavy Atom Count:44
Complexity:932
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-9,21,26-trimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol

Description
Basic Attributes
Characteristics
Computed Properties

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

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