[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-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)-13-methyl-3,16-disulfooxy-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/20220812/2a7fb5ad916c4920a07a68be6a12c8b3.png "[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate")
[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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CAS No:
17181-21-4
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Formula:
C18H24O12S3
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Chemical Name:
[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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Synonyms:
17181-21-4;Estriol-3,16,17-trisulfate;SCHEMBL10412522;DTXSID10938047;ZINC31706511;Estra-1(10),2,4-triene-3,16,17-triyl tris(hydrogen sulfate);Estra-1,3,5(10)-triene-3,16,17-triol, tris(hydrogen sulfate), (16alpha,17beta)-
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CAS No:
[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Basic Attributes
528.6 g/mol
528.04298972 g/mol
Computed Properties
Molecular Weight:528.6
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:528.04298972
Monoisotopic Mass:528.04298972
Topological Polar Surface Area:216
Heavy Atom Count:33
Complexity:1050
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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