N-[(5S,5aS,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]-4-cyanobenzamide
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![N-[(5S,5aS,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]-4-cyanobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3322a50860654981af94cae4826b68f4.png "N-[(5S,5aS,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]-4-cyanobenzamide")
N-[(5S,5aS,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]-4-cyanobenzamide
structure -
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CAS No:
117507-78-5
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Formula:
C29H24N2O8
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Chemical Name:
N-[(5S,5aS,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]-4-cyanobenzamide
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Synonyms:
117507-78-5;Benzamide, 4-cyano-N-((5S,5aS,8aR,9R)-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)-;CHEMBL31842;DTXSID90151797;(5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,5-dimethoxy-4-hydroxyphenyl)-9alpha-(4-cyanobenzoylamino)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one
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CAS No:
N-[(5S,5aS,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]-4-cyanobenzamide Basic Attributes
528.5 g/mol
528.15326573 g/mol
DTXSID90151797
Computed Properties
Molecular Weight:528.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:528.15326573
Monoisotopic Mass:528.15326573
Topological Polar Surface Area:136
Heavy Atom Count:39
Complexity:962
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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