[(8R,9S,13S,14S,17S)-2,3-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,17S)-2,3-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/a18d60bdbe044e5db46331d74c3f33c2.png "[(8R,9S,13S,14S,17S)-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate")
[(8R,9S,13S,14S,17S)-2,3-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:
75005-50-4
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Formula:
C18H24O6S
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Chemical Name:
[(8R,9S,13S,14S,17S)-2,3-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:
2-hydroxyestradiol 17-sulfate;2-OH-E2-17-S;2-Hydroxyestradiol 17-sulfate;75005-50-4;2-OH-E2-17-S;SCHEMBL15397467;DTXSID10996506;[(8R,9S,13S,14S,17S)-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate;2,3-Dihydroxyestra-1(10),2,4-trien-17-yl hydrogen sulfate;Estra-1,3,5(10)-triene-2,3,17-triol, 17-(hydrogen sulfate), (17beta)-
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CAS No:
[(8R,9S,13S,14S,17S)-2,3-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
XLogP3:3.3
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:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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