[1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate
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[1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate
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CAS No:
133806-61-8
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Formula:
C23H24O7
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Chemical Name:
[1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate
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Synonyms:
5-1''-acetoxy-6'-formyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione;purpactin C;Purpactin C;133806-61-8;DTXSID50928280;FO-608C;[1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate;5-1''-Acetoxy-6'-formyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione;1-(2'-Formyl-4-methoxy-4'-methyl-3,6'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl)-3-methylbutyl acetate;Spiro(benzofuran-2(3H),1'-(2,4)cyclohexadiene)-3,6'-dione, 5-(1-(acetyloxy)-3-methylbutyl)-2'-formyl-4-methoxy-4'-methyl-
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CAS No:
[1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate Basic Attributes
412.4 g/mol
412.15220310 g/mol
Drug Information
5-1''-acetoxy-6'-formyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione
Computed Properties
Molecular Weight:412.4
XLogP3:2.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:412.15220310
Monoisotopic Mass:412.15220310
Topological Polar Surface Area:96
Heavy Atom Count:30
Complexity:808
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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