(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione
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![(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fddb09ef0ed045cb93c2ed781f6bd52e.png "(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione")
(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione
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CAS No:
7726-34-3
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Formula:
C15H18O4
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Chemical Name:
(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione
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Synonyms:
Jacquinelin;11β,13-Dihydro-8-deoxylactucin;(3S)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3,6-dimethylazuleno[4,5-b]furan-2,7-dione;(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione
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CAS No:
Description
11beta,13-dihydro-8-deoxylactucin is a sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of 8-deoxylactucin. Found in chicory It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, a sesquiterpene lactone and a primary alcohol. It derives from a lactucin.
(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione Basic Attributes
262.305
262.121
Computed Properties
Molecular Weight:262.30
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:262.12050905
Monoisotopic Mass:262.12050905
Topological Polar Surface Area:63.6
Heavy Atom Count:19
Complexity:514
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3aS)-3,3aβ,4,5,9aβ,9bα-Hexahydro-9-(hydroxymethyl)-3β,6-dimethylazuleno[4,5-b]furan-2,7-dione
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