(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
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![(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6cca625c3e724293a5edd20703ded95d.png "(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one")
(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
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CAS No:
138456-90-3
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Formula:
C20H20O8
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Chemical Name:
(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
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Synonyms:
Naphtho(2,3-c)furan-1(3H)-one,3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-,(3aR,4R,9R,9aR); (3ar,4r,9r,9ar)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3h)-one; 3',4'-demethylene-4-demethylpodophyllotoxin; 6,7-O,O-demethylene-4'-O-demethylpodophyllotoxin;
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CAS No:
(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one Basic Attributes
388.36800
388.11581759 g/mol
DTXSID30160681
Computed Properties
Molecular Weight:388.4
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:388.11581759
Monoisotopic Mass:388.11581759
Topological Polar Surface Area:126
Heavy Atom Count:28
Complexity:571
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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