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Substance Name: Ethinyl estriol
RN: 108646-70-4
InChIKey: XFBUZQAUNLRYCT-TXFRKKNYSA-N

Molecular Formula

  • C20-H24-O3

Molecular Weight

  • 312.4066
 
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Names and Synonyms

Name of Substance

  • Ethinyl estriol

Synonym

  • Ethynyl estriol

Systematic Name

  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (17alpha)-

Registry Numbers

CAS Registry Number

  • 108646-70-4

System Generated Number

  • 0108646704

Structure Descriptors

InChI

1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18?,19+,20+/m1/s1

InChIKey

XFBUZQAUNLRYCT-TXFRKKNYSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1CC[C@]2(C#C)O)O)O