(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-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,17R)-11-ethyl-17-ethynyl-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/da426c391c504fd68c4eb1cdd7998674.png "(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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CAS No:
39845-47-1
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Formula:
C22H28O2
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Chemical Name:
(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
39845-47-1;11-beta-Ethyl-17-alpha-ethinylestradiol;11beta-Ethyl-17alpha-ethinylestradiol;11-beta-Ethyl-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol;19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol, 11-beta-ethyl-;CHEMBL1627611;DTXSID00960413;11beta-Ethyl-17-ethynyl-17beta-estradiol;11-Ethyl-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
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CAS No:
(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Basic Attributes
324.5 g/mol
324.208930132 g/mol
Computed Properties
Molecular Weight:324.5
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:324.208930132
Monoisotopic Mass:324.208930132
Topological Polar Surface Area:40.5
Heavy Atom Count:24
Complexity:547
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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