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]-3-nitrobenzamide
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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]-3-nitrobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ccbf2f4e0cf54a81a14c21849a90d1ef.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]-3-nitrobenzamide")
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]-3-nitrobenzamide
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CAS No:
117507-77-4
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Formula:
C28H24N2O10
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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]-3-nitrobenzamide
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Synonyms:
117507-77-4;CHEMBL285862;DTXSID70922447;Benzamide, 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)-3-nitro-;(5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,5-dimethoxy-4-hydroxyphenyl)-9alpha-(3-nitrobenzoylamino)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one;N-[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]-3-nitrobenzene-1-carboximidic acid
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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]-3-nitrobenzamide Basic Attributes
548.5 g/mol
548.14309497 g/mol
Computed Properties
Molecular Weight:548.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:548.14309497
Monoisotopic Mass:548.14309497
Topological Polar Surface Area:158
Heavy Atom Count:40
Complexity:961
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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