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(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester
(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester
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![(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/58f86457a51c4a3180a49a9615ad1558.png "(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester")
(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester
structure -
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CAS No:
70368-12-6
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Formula:
C21H18O8
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Chemical Name:
(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester
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Synonyms:
oruwacin
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CAS No:
(3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester Basic Attributes
398.36282
398.1
Computed Properties
Molecular Weight:398.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:398.10016753
Monoisotopic Mass:398.10016753
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:829
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (3aS,9aS)-3,3a,7aα,9bα-Tetrahydro-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylene]-2-oxo-2H,4aαH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylicacidmethylester
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