 Home > Encyclopedia > 2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester

2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester

2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester structure

CAS No:
30412-86-3
Formula:
C19H20O6
Chemical Name:
2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester
Synonyms:
2-Propenoic acid,2-methyl-,(3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester;10βH-Germacra-2,4,11(13)-trien-12-oic acid,3,10-epoxy-6α,8β-dihydroxy-1-oxo-,12,6-lactone,methacrylate;2-Propenoic acid,2-methyl-,2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester,[3aR-(3aR*,4R*,6R*,10Z,11aR*)]-;2-Propenoic acid,2-methyl-,(3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester;6,9-Epoxycyclodeca[b]furan,2-propenoic acid deriv.;Calaxin;67710-83-2

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Description

Calaxin is a sesquiterpenoid.

2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester Basic Attributes

Molecular Weight：

344.363

Exact Mass：

344.36

Characteristics

PSA：

78.9

XLogP3：

2.2

Density：

1.26±0.1 g/cm3(Predicted)

Melting Point：

175-177 °C

Computed Properties

Molecular Weight:344.4
XLogP3:2.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:344.12598835
Monoisotopic Mass:344.12598835
Topological Polar Surface Area:78.9
Heavy Atom Count:25
Complexity:771
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester

Description
Basic Attributes
Characteristics
Computed Properties
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2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester

SDS

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