[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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![[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c3180fb1fb844b2d8c54259aafdb7296.png "[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate")
[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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CAS No:
42028-21-7
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Formula:
C18H24O6S
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Chemical Name:
[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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Synonyms:
estriol 17-sulfate;estriol 17-sulfate, (6beta,17beta)-isomer;Estriol 17-sulfate;42028-21-7;[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate;Estriol-17-sulfate;SCHEMBL3232321;DTXSID80962218;A826744;1,3,5(10)-Estratriene-3,16alpha,17beta-triol 17-sulfate;3,16-Dihydroxyestra-1(10),2,4-trien-17-yl hydrogen sulfate;Estra-1,3,5(10)-triene-3,16,17-triol, 17-(hydrogen sulfate), (16alpha,17beta)-;[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate;sulfuric acid [(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
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CAS No:
[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Basic Attributes
368.4 g/mol
368.12935965 g/mol
Computed Properties
Molecular Weight:368.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:368.12935965
Monoisotopic Mass:368.12935965
Topological Polar Surface Area:112
Heavy Atom Count:25
Complexity:616
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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