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Substance Name: Ethinyl estradiol sulfate
RN: 109945-72-4
InChIKey: WLGIWVFFGMPRLM-WYGKVCCSSA-N

Molecular Weight

  • 376.471
 
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Names and Synonyms

Results Name

  • Ethinyl estradiol sulfate

Synonyms

  • (8S,9S,13S,14S)-17-Ethynyl-17-hydroxy-13-methyl-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthrene
  • Ethinyl estradiol sulfate

Registry Numbers

CAS Registry Number

  • 109945-72-4

System Generated Number

  • 0109945724

Structure Descriptors

InChI

1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20?/m1/s1

InChIKey

WLGIWVFFGMPRLM-WYGKVCCSSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@@](CC[C@@H]4[C@@H]3CCc2c1)(C#C)O)C)OS(=O)(=O)O