[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate
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![[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5fb07d1039ed4c19a167591c2e9fc3fc.png "[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate")
[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate
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CAS No:
75084-20-7
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Formula:
C19H13Cl3O9
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Chemical Name:
[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate
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Synonyms:
75084-20-7;8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1;DTXSID40996574;1,2,3,6a,8,9,9a,11-Octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl trichloroacetate (6aS-(6aalpha,8beta,9alpha,9aalpha))-;Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl ester, (6aS-(6aalpha,8beta,9alpha,9aalpha))-;9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trichloroacetate
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CAS No:
[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate Basic Attributes
491.7 g/mol
489.962515 g/mol
Computed Properties
Molecular Weight:491.7
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:489.962515
Monoisotopic Mass:489.962515
Topological Polar Surface Area:118
Heavy Atom Count:31
Complexity:868
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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