methyl 3-benzoyloxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
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methyl 3-benzoyloxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
structure -
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CAS No:
53663-00-6
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Formula:
C28H28O11
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Chemical Name:
methyl 3-benzoyloxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
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Synonyms:
DEHYDROBRUCEANTARIN;53663-00-6;DTXSID80311121;NSC238179;NSC-238179
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CAS No:
methyl 3-benzoyloxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate Basic Attributes
540.5 g/mol
540.16316171 g/mol
238179
DTXSID80311121
Computed Properties
Molecular Weight:540.5
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:540.16316171
Monoisotopic Mass:540.16316171
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:1210
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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