bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] propanedioate
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bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] propanedioate
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CAS No:
80096-78-2
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Formula:
C55H64O24
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Chemical Name:
bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] propanedioate
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Synonyms:
bisbrusatolyl malonate;Bisbrusatolyl malonate;80096-78-2;NSC 320952;Picras-3-en-21-oic acid, 3,3'-((1,3-dioxo-1,3-propanediyl)bis(oxy))bis(13,20-epoxy-11,12-dihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,15beta)-(11'beta,12'alpha,15'beta)-
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CAS No:
bis[15,16-dihydroxy-17-methoxycarbonyl-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-10-yl] propanedioate Basic Attributes
1109.1 g/mol
1108.37875290 g/mol
Computed Properties
Molecular Weight:1109.1
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:16
Exact Mass:1108.37875290
Monoisotopic Mass:1108.37875290
Topological Polar Surface Area:344
Heavy Atom Count:79
Complexity:2730
Undefined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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