(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione
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(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione
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CAS No:
161596-64-1
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Formula:
C17H12O8
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Chemical Name:
(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione
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Synonyms:
Cyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione,2,3,6a,7a,8a,8b-hexahydro-8b-hydroxy-4-methoxy-,(6aS,7aS,8aR,8bS)-;Cyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione,2,3,6a,7a,8a,8b-hexahydro-8b-hydroxy-4-methoxy-,[6aS-(6aα,7aβ,8aβ,8bα)]-;(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione
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CAS No:
Description
Aflatoxin M1 8,9-epoxide is a member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M1. It has a role as a xenobiotic metabolite. It is an aflatoxin, an aromatic ether, an aromatic ketone, a tertiary alcohol, an epoxide and a cyclic ketal. It derives from an aflatoxin M1.
(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione Basic Attributes
344.27238
344.27
Computed Properties
Molecular Weight:344.3
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:344.05321734
Monoisotopic Mass:344.05321734
Topological Polar Surface Area:104
Heavy Atom Count:25
Complexity:730
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(6aS,7aS,8aR,8bS)-2,3,6a,7a,8a,8b-Hexahydro-8b-hydroxy-4-methoxycyclopent[c]oxireno[4′,5′]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,10-dione
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