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Substance Name: 17-Ethynyl-4-estrene-3,17-diol-3-acetate-17-(3'-acetoxy-2'-butenoate)
RN: 142154-46-9
InChIKey: UKLLMPFMXAPFRE-CEUBYHBDSA-N

Note

  • Found as impurity in ethynodiol diacetate.

Molecular Formula

  • C28-H36-O6

Molecular Weight

  • 468.5864
 
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Names and Synonyms

Name of Substance

  • 17-Ethynyl-4-estrene-3,17-diol-3-acetate-17-(3'-acetoxy-2'-butenoate)

Synonyms

  • 17-EDDA-butenoate
  • E(-)-17-Edda-butenoate
  • Z(-)-17-Edda-butenoate

Systematic Name

  • 19-Norpregn-4-en-20-yne-3,17-diol, 3-acetate 17-(3-(acetyloxy)-2-butenoate), (3beta,17alpha,17(Z))-

Registry Numbers

CAS Registry Number

  • 142154-46-9

System Generated Number

  • 0142154469

Structure Descriptors

InChI

1S/C28H36O6/c1-6-28(34-26(31)15-17(2)32-18(3)29)14-12-25-24-9-7-20-16-21(33-19(4)30)8-10-22(20)23(24)11-13-27(25,28)5/h1,15-16,21-25H,7-14H2,2-5H3/b17-15-/t21-,22-,23+,24+,25-,27-,28-/m0/s1

InChIKey

UKLLMPFMXAPFRE-CEUBYHBDSA-N

Smiles

C/C(=C/C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)OC(=O)C)C)C#C)/OC(=O)C