(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid
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![(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ca98e04173c14289aa2973a0e4ede6cd.png "(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid")
(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid
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CAS No:
10126-00-8
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Formula:
C20H22N2O4
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Chemical Name:
(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid
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Synonyms:
isomitraphyllic acid;mitraphyllic acid;Mitraphyllic acid;10126-00-8;Isomitraphyllic acid;DTXSID80906031;Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, (19alpha)-;2-Hydroxy-19-methyl-1,2-didehydroformosanan-16-carboxylic acid
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CAS No:
(1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid Basic Attributes
354.4 g/mol
354.15795719 g/mol
Computed Properties
Molecular Weight:354.4
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:354.15795719
Monoisotopic Mass:354.15795719
Topological Polar Surface Area:78.9
Heavy Atom Count:26
Complexity:677
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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