4,6,9,10-tetrahydroxy-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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![4,6,9,10-tetrahydroxy-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/20220812/6cc32b1d58284c439f6f54509cba61eb.png "4,6,9,10-tetrahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione")
4,6,9,10-tetrahydroxy-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:
121325-48-2
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Formula:
C30H22O9
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Chemical Name:
4,6,9,10-tetrahydroxy-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 C;NSC629721;4,6,9,10-Tetrahydroxy-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;4,6,9,10-tetrahydroxy-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:
4,6,9,10-tetrahydroxy-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
526.5 g/mol
526.12638228 g/mol
M73UPM72AK
Computed Properties
Molecular Weight:526.5
XLogP3:3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:1
Exact Mass:526.12638228
Monoisotopic Mass:526.12638228
Topological Polar Surface Area:162
Heavy Atom Count:39
Complexity:1100
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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