1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
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![1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9b50861a316247a686cbc60e56f5360f.png "1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione")
1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
structure -
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CAS No:
121325-49-3
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Formula:
C30H22O10
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Chemical Name:
1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
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Synonyms:
Rubellin D;NSC633071;1,4,6,9,10-Pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracene-5,13(8H)-dione;1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-isobenzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
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CAS No:
1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione Basic Attributes
542.5 g/mol
542.12129689 g/mol
5472451653
Computed Properties
Molecular Weight:542.5
XLogP3:4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:1
Exact Mass:542.12129689
Monoisotopic Mass:542.12129689
Topological Polar Surface Area:182
Heavy Atom Count:40
Complexity:1140
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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