 Home > Encyclopedia > 2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester

2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester

2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester structure

CAS No:
128700-83-4
Formula:
C21H28O8
Chemical Name:
2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester
Synonyms:
2-Propenoic acid,2-methyl-,(3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester;2-Propenoic acid,2-methyl-,6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester,[3aR-(3aR*,4S*,6R*,10S*,11S*,11aS*)]-;Cyclodeca[b]furan,2-propenoic acid deriv.;Lychnostatin 1;(+)-Lychnostatin 1

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Description

Lychnostatin 1 is a germacranolide isolated from Lychnophora antillana and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a germacranolide, an acetate ester, a cyclic ketone and a secondary alcohol.

2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester Basic Attributes

Molecular Weight：

408.44200

Exact Mass：

408.44

DSSTox ID：

DTXSID70155970

Characteristics

PSA：

116.20000

XLogP3：

1.64390

Density：

1.22g/cm3

Melting Point：

228-230 °C @ Solvent: Acetone, Hexane

Boiling Point：

565.2ºC

Flash Point：

192.3ºC

Refractive Index：

1.52

Vapor Pressure：

3.96E-15mmHg at 25°C

Drug Information

MeSH Entry Terms：

lychnostatin 1

Computed Properties

Molecular Weight:408.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:408.17841785
Monoisotopic Mass:408.17841785
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:754
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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