3-Pyridinecarboxylic acid, 4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester
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3-Pyridinecarboxylic acid, 4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester
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CAS No:
52658-32-9
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Formula:
C30H35NO10
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Chemical Name:
3-Pyridinecarboxylic acid, 4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester
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Synonyms:
3-Pyridinecarboxylic acid,4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester;2H-3,9a-Methano-1-benzoxepin,3-pyridinecarboxylic acid deriv.;Celapanine;Celapanin;58165-89-2
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CAS No:
3-Pyridinecarboxylic acid, 4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester Basic Attributes
569.6
569.60
DTXSID30331859
Computed Properties
Molecular Weight:569.6
XLogP3:3.5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:569.22609631
Monoisotopic Mass:569.22609631
Topological Polar Surface Area:141
Heavy Atom Count:41
Complexity:1060
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Pyridinecarboxylic acid, 4,6-bis(acetyloxy)-10-[(3-furanylcarbonyl)oxy]octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester
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