 Home > Encyclopedia > (3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one structure

CAS No:
25383-30-6
Formula:
C17H24O6
Chemical Name:
(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
Synonyms:
Azuleno[4,5-b]furan-2(3H)-one,9-(acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylene-,(3aS,6R,6aR,9S,9aS,9bR)-;10αH-Ambros-11(13)-en-12-oic acid,1,4β,6β,14-tetrahydroxy-,γ-lactone,4-acetate;Azuleno[4,5-b]furan-2(3H)-one,9-(acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylene-,[3aS-(3aα,6β,6aα,9β,9aβ,9bα)]-;(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one;Tetraneurin E

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Description

ChEBI: A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substitue ts at positions 6, 6a, 9, and 9a respectively.

Tetraneurin E is a sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively. It has a role as a metabolite. It is a sesquiterpene lactone, a gamma-lactone, an organic heterotricyclic compound and an acetate ester.

(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one Basic Attributes

Molecular Weight：

324.36886

Exact Mass：

324.37

DSSTox ID：

DTXSID50331790

Characteristics

PSA：

93.1

XLogP3：

1.5

Density：

1.28±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:324.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:324.15728848
Monoisotopic Mass:324.15728848
Topological Polar Surface Area:93.1
Heavy Atom Count:23
Complexity:557
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

Description
Basic Attributes
Characteristics
Computed Properties

(3aS,6R,6aR,9S,9aS,9bR)-9-(Acetyloxy)decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

SDS

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