3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid
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![3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f155a277248b47969ccd9191e8652501.png "3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid")
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid
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CAS No:
161161-68-8
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Formula:
C30H36O14
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Chemical Name:
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid
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Synonyms:
6''-O-dicrotalyl-7-O-glucopyranosylmatteucinol;matteuorienate A;161161-68-8;Matteuorienate A;6''-O-Dicrotalyl-7-O-glucopyranosylmatteucinol;DTXSID90936460;3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid;5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)hexopyranoside;Pentanedioic acid, 3-hydroxy-3-methyl-, 6'-ester with 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
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CAS No:
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid Basic Attributes
620.6 g/mol
620.21050582 g/mol
Computed Properties
Molecular Weight:620.6
XLogP3:0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:620.21050582
Monoisotopic Mass:620.21050582
Topological Polar Surface Area:219
Heavy Atom Count:44
Complexity:1020
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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