[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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![[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/756d68adae244b65aa17cf406b8fff62.png "[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate")
[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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CAS No:
75803-36-0
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Formula:
C20H24O5S
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Chemical Name:
[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
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Synonyms:
EES-17;ethinyl estradiol-17-sulfate;ethinylestradiol-17-sulfate;ethynyl estradiol 17-sulfate;Ethinylestradiol-17-sulfate;UNII-SIU5G557TZ;SIU5G557TZ;CHEMBL1614647;75803-36-0;Ethinyl estradiol-17-sulfate;Ees-17;Ethynyl estradiol 17-sulfate;DTXSID20873218;BDBM50420245;[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate;19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 17-(hydrogen sulfate), (17alpha)-
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CAS No:
[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate Basic Attributes
376.5 g/mol
376.13444504 g/mol
SIU5G557TZ
Computed Properties
Molecular Weight:376.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:376.13444504
Monoisotopic Mass:376.13444504
Topological Polar Surface Area:92.2
Heavy Atom Count:26
Complexity:718
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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