[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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![[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f95e1c085f4f48a1abf313e05ba1a995.png "[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate")
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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CAS No:
30808-48-1
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Formula:
C30H35NO4S
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Chemical Name:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
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Synonyms:
3-dansylestradiol;estradiol-3-dansylate;3-Dansylestradiol;30808-48-1;Estradiol-3-dansylate;DTXSID10953013;17-Hydroxyestra-1(10),2,4-trien-3-yl 5-(dimethylamino)naphthalene-1-sulfonate;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(5-(dimethylamino)-1-naphthalenesulfonate)
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CAS No:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate Basic Attributes
505.7 g/mol
505.22867977 g/mol
Computed Properties
Molecular Weight:505.7
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:505.22867977
Monoisotopic Mass:505.22867977
Topological Polar Surface Area:75.2
Heavy Atom Count:36
Complexity:901
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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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
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[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate Structure
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