Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
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Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
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CAS No:
25514-28-7
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Formula:
C21H26O10
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Chemical Name:
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
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Synonyms:
Picras-3-en-21-oic acid,13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-,methyl ester,(11β,12α,15β)-;2H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-3α(1H)-carboxylic acid,3a,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-,methyl ester;2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran,picras-3-en-21-oic acid deriv.;Bruceolide;Bruceolid;NSC 238185;26540-75-0
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CAS No:
Description
ChEBI: A quassinoid isolated from Brucea javanica and Brucea sumatrana and has been shown to exhibit antimalarial activity.
Bruceolide is a quassinoid isolated from Brucea javanica and Brucea sumatrana and has been shown to exhibit antimalarial activity. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a quassinoid, a delta-lactone, a cyclic ether, an enone, an organic heteropentacyclic compound, a tetrol, an enol and a methyl ester.
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)- Basic Attributes
438.426
438.43
Computed Properties
Molecular Weight:438.4
XLogP3:-1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:438.15259702
Monoisotopic Mass:438.15259702
Topological Polar Surface Area:160
Heavy Atom Count:31
Complexity:927
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
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