(5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-10,16-diol
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(5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-10,16-diol
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CAS No:
115610-48-5
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Formula:
C20H27NO2
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Chemical Name:
(5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-10,16-diol
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Synonyms:
Spirasine XIV;Spirasine XV;Hetisan-6,13-diol, (13S)-;115610-48-5;Hetisan-6,13-diol, (13R)-;115610-49-6
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CAS No:
(5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-10,16-diol Basic Attributes
313.4 g/mol
313.204179104 g/mol
Computed Properties
Molecular Weight:313.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:313.204179104
Monoisotopic Mass:313.204179104
Topological Polar Surface Area:43.7
Heavy Atom Count:23
Complexity:691
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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