(5R,9S,11S,16S,17R,18R)-10,16-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
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(5R,9S,11S,16S,17R,18R)-10,16-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
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CAS No:
115610-46-3
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Formula:
C20H25NO3
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Chemical Name:
(5R,9S,11S,16S,17R,18R)-10,16-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
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Synonyms:
115610-46-3;Spirasine XII;Spirasine XIII;Hetisan-11-one, 6,13-dihydroxy-, (13S)-;6,13-Dihydroxyhetisan-11-one;DTXSID90921775;Hetisan-11-one, 6,13-dihydroxy-, (13R)-;115610-47-4
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CAS No:
(5R,9S,11S,16S,17R,18R)-10,16-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one Basic Attributes
327.4 g/mol
327.18344366 g/mol
Computed Properties
Molecular Weight:327.4
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:327.18344366
Monoisotopic Mass:327.18344366
Topological Polar Surface Area:60.8
Heavy Atom Count:24
Complexity:764
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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