Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
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![Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63c61de9c48b41d596061393356723bf.png "Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-")
Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
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CAS No:
101910-72-9
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Formula:
C28H36O11
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Chemical Name:
Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
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Synonyms:
Picras-2-en-21-oic acid,15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-,methyl ester,(11β,12α,15β)-;Picras-2-en-21-oic acid,15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-,methyl ester,[11β,12α,15β(E)]-;2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran,picras-2-en-21-oic acid deriv.;Yadanzioside N aglycone;Bruceanol F;106685-03-4
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CAS No:
Description
ChEBI: A quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines.
Bruceanol F is a quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a delta-lactone, a cyclic ether, an enoate ester, an organic heteropentacyclic compound, a pentacyclic triterpenoid, a quassinoid, a triol, an enol and a methyl ester.
Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)- Basic Attributes
548.585
548.58
Computed Properties
Molecular Weight:548.6
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:548.22576196
Monoisotopic Mass:548.22576196
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:1190
Defined Atom Stereocenter Count:11
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
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