[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] benzoate
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[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] benzoate
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CAS No:
111712-28-8
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Formula:
C28H24O9
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Chemical Name:
[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] benzoate
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Synonyms:
111712-28-8;4'-O-Demethyl-4beta-benzoylpodophyllotoxin;CHEMBL284229;DTXSID00920552;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(benzoyloxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-;(5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,5-dimethoxy-4-hydroxyphenyl)-9alpha-(benzoyloxy)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one;9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl benzoate
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CAS No:
[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] benzoate Basic Attributes
504.5 g/mol
504.14203234 g/mol
Computed Properties
Molecular Weight:504.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:504.14203234
Monoisotopic Mass:504.14203234
Topological Polar Surface Area:110
Heavy Atom Count:37
Complexity:830
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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