(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
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![(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8002b20d414c44299359793083ea4776.png "(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one")
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
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CAS No:
56316-49-5
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Formula:
C50H44O20
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Chemical Name:
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
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Synonyms:
Disilybin;Silybin dimer;56316-49-5;4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2- (hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-, dimer
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CAS No:
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one Basic Attributes
964.9 g/mol
964.24259379 g/mol
Computed Properties
Molecular Weight:964.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:8
Exact Mass:964.24259379
Monoisotopic Mass:964.24259379
Topological Polar Surface Area:310
Heavy Atom Count:70
Complexity:750
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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