(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
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![(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3b5ccbb5239046a3a60e7722fb0cc564.png "(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one")
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
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CAS No:
196607-73-5
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Formula:
C27H42O5
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Chemical Name:
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
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Synonyms:
196607-73-5;(-)-Porrigenin B;(25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol;3,6-Dihydroxyspirostan-2-one;DTXSID80941427;Spirostan-2-one, 3,6-dihydroxy-, (3beta,5alpha,6beta,25R)-
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CAS No:
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one Basic Attributes
446.6 g/mol
446.30322444 g/mol
Computed Properties
Molecular Weight:446.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:446.30322444
Monoisotopic Mass:446.30322444
Topological Polar Surface Area:76
Heavy Atom Count:32
Complexity:799
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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