 Home > Encyclopedia > 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)-

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)-

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)- structure

CAS No:
77793-42-1
Formula:
C38H40N2O7
Chemical Name:
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)-
Synonyms:
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline,3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-,(16aS)-;16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline,3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-,(S)-;Calafatimine

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Description

Calafatimine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)- Basic Attributes

Molecular Weight：

636.7334

Exact Mass：

636.73

DSSTox ID：

DTXSID80331763

Characteristics

PSA：

80.2

XLogP3：

5.8

Computed Properties

Molecular Weight:636.7
XLogP3:5.8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:636.28355162
Monoisotopic Mass:636.28355162
Topological Polar Surface Area:80.2
Heavy Atom Count:47
Complexity:1050
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)-

Description
Basic Attributes
Characteristics
Computed Properties

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26,28-pentamethoxy-17-methyl-, (16aS)-

SDS

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