19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-, mixt. with (17β)-estra-1,3,5(10)-triene-3,17-diol

CAS Registry Number®

77728-33-7

CAS Name

19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-, mixt. with (17β)-estra-1,3,5(10)-triene-3,17-diol

Molecular Formula

C22H28O3.C18H24O2

Cite this Page

19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-, mixt. with (17β)-estra-1,3,5(10)-triene-3,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77728-33-7 (retrieved 2024-11-22) (CAS RN: 77728-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O3.C18H24O2/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h1,13,17-20H,5-12H2,2-3H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t17-,18+,19+,20-,21-,22-;14-,15-,16+,17+,18+/m01/s1

InChIKey

InChIKey=NAUDKYVGHCCLOT-LAQCMFAESA-N

SMILES

C[C@@]12[C@](OC(C)=O)(C#C)CC[C@]1([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])[H].C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(OC1(C#C)CCC2C3CCC4=CC(=O)CCC4C3CCC21C)C.OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-, mixt. with (17β)-estra-1,3,5(10)-triene-3,17-diol
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, mixt. contg.
  • 17β-Estradiol-norethisterone acetate
  • Estradiol-Norethisterone acetate mixt.
  • Estragest TTS

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration