(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
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![(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b92cd0f404b142a99b40540b74a13eaf.png "(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione")
(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
structure -
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CAS No:
107022-05-9
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Formula:
C17H10Br2O6
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Chemical Name:
(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
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Synonyms:
107022-05-9;Dibromoaflatoxin;DTXSID60910217;8,9-Dibromo-2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione (6aS-cis)-;Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dibromo-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)-;8,9-Dibromo-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
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CAS No:
(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione Basic Attributes
470.1 g/mol
469.88236 g/mol
Computed Properties
Molecular Weight:470.1
XLogP3:2.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:469.88236
Monoisotopic Mass:467.88441
Topological Polar Surface Area:71.1
Heavy Atom Count:25
Complexity:743
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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