(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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![(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2ddd3a666e4649fca11df0503ae2b736.png "(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
structure -
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CAS No:
73309-87-2
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Formula:
C21H25IO3
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Chemical Name:
(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
17 alpha-iodoethynyl-11 beta-methoxyestradiol;73309-87-2;17alpha-Iodoethynyl-11beta-methoxyestradiol;DTXSID40994030;21-(~125~I)Iodo-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol;19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 21-(iodo-125I)-11-methoxy-, (11beta,17alpha)-
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CAS No:
(8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Basic Attributes
450.3 g/mol
450.08500 g/mol
Computed Properties
Molecular Weight:450.3
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:450.08500
Monoisotopic Mass:450.08500
Topological Polar Surface Area:49.7
Heavy Atom Count:25
Complexity:594
Isotope Atom Count:1
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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