[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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![[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/16b6585268f549a192335b66ac74edfc.png "[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate")
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
structure -
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CAS No:
17916-85-7
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Formula:
C18H22O6S
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Chemical Name:
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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Synonyms:
16-OE-3-S;16-oxoestradiol 3-sulfate;17916-85-7;16-OE-3-S;16-Oxoestradiol 3-sulfate;DTXSID60939185;17-Hydroxy-16-oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate;Estra-1,3,5(10)-trien-16-one, 17-hydroxy-3-(sulfooxy)-, (17beta)-
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CAS No:
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Basic Attributes
366.4 g/mol
366.11370959 g/mol
Computed Properties
Molecular Weight:366.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:366.11370959
Monoisotopic Mass:366.11370959
Topological Polar Surface Area:109
Heavy Atom Count:25
Complexity:655
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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