4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile
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![4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9d883e309a8f4064a568135a55d4fa50.png "4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile")
4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile
structure -
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CAS No:
127882-56-8
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Formula:
C28H24N2O7
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Chemical Name:
4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile
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Synonyms:
127882-56-8;DTXSID80926017;(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile;4-{[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]amino}benzonitrile
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CAS No:
4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile Basic Attributes
500.5 g/mol
500.15835111 g/mol
Computed Properties
Molecular Weight:500.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:500.15835111
Monoisotopic Mass:500.15835111
Topological Polar Surface Area:119
Heavy Atom Count:37
Complexity:871
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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