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Substance Name: Ethynylestradiol-3-o-glucuronide
RN: 60134-76-1
UNII: W9MHL6CNMK
InChIKey: DYBBEZHAELJFKW-IWTIIAAJSA-N

Molecular Formula

  • C26-H32-O8

Molecular Weight

  • 472.5308
 
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Names and Synonyms

Name of Substance

  • Ethynylestradiol-3-o-glucuronide

Synonyms

  • 17alpha-Ethynylestradiol 3-glucuronide
  • beta-D-Glucopyranosiduronic acid, (17alpha)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl
  • Ethynylestradiol-3-o-glucuronide
  • UNII-W9MHL6CNMK

Registry Numbers

CAS Registry Number

  • 60134-76-1

FDA UNII

  • W9MHL6CNMK

System Generated Number

  • 0060134761

Structure Descriptors

InChI

1S/C26H32O8/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h1,5,7,12,16-22,24,27-29,32H,4,6,8-11H2,2H3,(H,30,31)/t16-,17-,18+,19+,20+,21-,22+,24-,25+,26+/m1/s1

InChIKey

DYBBEZHAELJFKW-IWTIIAAJSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O