3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione
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![3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/644d99a263c74942a7940c115af5f5b0.png "3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione")
3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione
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CAS No:
62886-00-4
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Formula:
C20H16O9
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Chemical Name:
3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione
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Synonyms:
Anthra[2,3-b]furan-5,10-dione,3-[2-(acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxy-;3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione;Versiconal hemiacetal acetate;Versiconal acetate
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CAS No:
Description
Versiconal hemiacetal acetate is an anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-acetoxyethyl group. An intermediate in the biosynthesis of aflatoxin. It has a role as a metabolite. It is an anthrafuran, a lactol, a polyphenol, an acetate ester and a palmitoyl amino acid.
3-[2-(Acetyloxy)ethyl]-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione Basic Attributes
400.3 g/mol
400.34
Computed Properties
Molecular Weight:400.3
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:400.07943208
Monoisotopic Mass:400.07943208
Topological Polar Surface Area:151
Heavy Atom Count:29
Complexity:693
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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