11beta,13-Dihydrolactucin
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11beta,13-Dihydrolactucin
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CAS No:
83117-63-9
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Formula:
C15H18O5
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Chemical Name:
11beta,13-Dihydrolactucin
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Synonyms:
11beta,13-Dihydrolactucin;11β,13-Dihydrolactucin;Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-, (3S,3aR,4S,9aS,9bR)-
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CAS No:
Description
11beta,13-dihydrolactucin is a sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, a secondary alcohol, a sesquiterpene lactone and a primary alcohol. It derives from a lactucin.
Computed Properties
Molecular Weight:278.30
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:278.11542367
Monoisotopic Mass:278.11542367
Topological Polar Surface Area:83.8
Heavy Atom Count:20
Complexity:545
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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