(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
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![(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d514d6be5cda43e5b43f7686d9e2cb59.png "(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione")
(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
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CAS No:
182266-57-5
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Formula:
C20H26O5
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Chemical Name:
(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
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Synonyms:
Inflexusin B;182266-57-5;Spiro(isobenzofuran-4(1H),4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-1',9'(4'aH)-dione, decahydro-3-hydroxy-7a-methyl-8'-methylene-, (3R,3aR,4R,4'aS,7'S,7aR,9'aR)-;Spiro(isobenzofuran-4(1H),4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-1',9'(4'aH)-dione, decahydro-3-hydroxy-7a-methyl-8'-methylene-, (4'R-(4'alpha(3R*,3aR*,7aR*),4'aalpha,7'alpha,9'aalpha))-
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CAS No:
(3R,3aR,6'S,7aR,9'R)-3-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione Basic Attributes
346.4 g/mol
346.17802393 g/mol
Computed Properties
Molecular Weight:346.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:346.17802393
Monoisotopic Mass:346.17802393
Topological Polar Surface Area:72.8
Heavy Atom Count:25
Complexity:686
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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