Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
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Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
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CAS No:
25514-29-8
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Formula:
C23H28O11
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Chemical Name:
Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
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Synonyms:
Picras-3-en-21-oic acid,15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-,methyl ester,(11β,12α,15β)-;Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate;Bruceine B;Brucein B;NSC 132793
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CAS No:
Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate Basic Attributes
480.46182
480.46
Computed Properties
Molecular Weight:480.5
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:480.16316171
Monoisotopic Mass:480.16316171
Topological Polar Surface Area:166
Heavy Atom Count:34
Complexity:1030
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
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