 Home > Encyclopedia > (2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone

(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone

(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone structure

CAS No:
99340-07-5
Formula:
C21H24O6
Chemical Name:
(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone
Synonyms:
6(2H)-Benzofuranone,2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-,(2S,3R,3aS,7aR)-;6(2H)-Benzofuranone,2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-,[2S-(2α,3β,3aα,7aα)]-;6(2H)-Benzofuranone,2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-,(2S,3R,3aS,7aR)-;(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone;Kadsurin A
Categories:
Natural Products > Lignans

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Description

Kadsurin A is a member of benzodioxoles.

(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone Basic Attributes

Molecular Weight：

372.41166

Exact Mass：

372.41

DSSTox ID：

DTXSID50331992

Characteristics

PSA：

63.2

XLogP3：

2.5

Computed Properties

Molecular Weight:372.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:372.15728848
Monoisotopic Mass:372.15728848
Topological Polar Surface Area:63.2
Heavy Atom Count:27
Complexity:645
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone

Description
Basic Attributes
Characteristics
Computed Properties
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(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone

SDS

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