Ergolide
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Ergolide
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CAS No:
54999-07-4
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Formula:
C17H22O5
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Chemical Name:
Ergolide
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Synonyms:
Azuleno[6,5-b]furan-2,5-dione,4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-,(3aR,4S,4aR,7aS,8R,9aS)-;Azuleno[6,5-b]furan-2,5-dione,4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-,[3aR-(3aα,4α,4aβ,7aα,8α,9aβ)]-;(3aR,4S,4aR,7aS,8R,9aS)-4-(Acetyloxy)decahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione;Dihydrobigelovin;Ergolide
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CAS No:
Description
Ergolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent, a plant metabolite, an antineoplastic agent and a NF-kappaB inhibitor. It is a gamma-lactone, a cyclic ketone, an acetate ester, an organic heterotricyclic compound and a sesquiterpene lactone.
Computed Properties
Molecular Weight:306.4
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:306.14672380
Monoisotopic Mass:306.14672380
Topological Polar Surface Area:69.7
Heavy Atom Count:22
Complexity:565
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes