[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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![[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/49cd92397ecd455aa1d2d9263f6a5c93.png "[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate")
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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CAS No:
30804-69-4
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Formula:
C30H33NO4S
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Chemical Name:
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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Synonyms:
3-dansylestrone;estrone-3-dansyl;30804-69-4;3-Dansylestrone;Estrone-3-dansyl;DTXSID50953012;Estra-1,3,5(10)-trien-17-one, 3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)oxy)-;17-Oxoestra-1(10),2,4-trien-3-yl 5-(dimethylamino)naphthalene-1-sulfonate
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CAS No:
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate Basic Attributes
503.7 g/mol
503.21302971 g/mol
Computed Properties
Molecular Weight:503.7
XLogP3:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:503.21302971
Monoisotopic Mass:503.21302971
Topological Polar Surface Area:72.1
Heavy Atom Count:36
Complexity:943
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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