methyl (1R,4R,5R,9S,12R,13R,15S)-5,9-dimethyl-13-propan-2-yl-14,16,17-trioxapentacyclo[10.3.2.01,10.04,9.013,15]heptadecane-5-carboxylate
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methyl (1R,4R,5R,9S,12R,13R,15S)-5,9-dimethyl-13-propan-2-yl-14,16,17-trioxapentacyclo[10.3.2.01,10.04,9.013,15]heptadecane-5-carboxylate
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CAS No:
25859-65-8
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Formula:
C21H32O5
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Chemical Name:
methyl (1R,4R,5R,9S,12R,13R,15S)-5,9-dimethyl-13-propan-2-yl-14,16,17-trioxapentacyclo[10.3.2.01,10.04,9.013,15]heptadecane-5-carboxylate
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Synonyms:
NSC146187;25859-65-8;Methyl (1aS,1bR,3aR,4R,7aS,9R,9aR)-9a-isopropyl-4,7a-dimethyldodecahydro-1aH-1b,9-epidioxyphenanthro(1,2-b)oxirene-4-carboxylate;Methyl (1aS,1bR,3aR,4R,7aS,9R,9aR)-9a-isopropyl-4,7a-dimethyldodecahydro-1aH-1b,9-epidioxyphenanthro[1,2-b]oxirene-4-carboxylate;NSC 146187;Podocarpanoic acid der.
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CAS No:
methyl (1R,4R,5R,9S,12R,13R,15S)-5,9-dimethyl-13-propan-2-yl-14,16,17-trioxapentacyclo[10.3.2.01,10.04,9.013,15]heptadecane-5-carboxylate Basic Attributes
364.5 g/mol
364.22497412 g/mol
146187
Computed Properties
Molecular Weight:364.5
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:364.22497412
Monoisotopic Mass:364.22497412
Topological Polar Surface Area:57.3
Heavy Atom Count:26
Complexity:648
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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