Pregn-4-ene-3,20-dione, mixt. with (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate

CAS Registry Number®

8000-03-1
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CAS Name

Pregn-4-ene-3,20-dione, mixt. with (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate

Molecular Formula

C25H28O3.C21H30O2

Cite this Page

Pregn-4-ene-3,20-dione, mixt. with (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=8000-03-1 (retrieved 2024-04-24) (CAS RN: 8000-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28O3.C21H30O2/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;12,16-19H,4-11H2,1-3H3/t20-,21-,22+,23+,25+;16-,17+,18-,19-,20-,21+/m10/s1

InChIKey

InChIKey=MVNXVUVQPCKKIA-YMDAVDRCSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H].C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)C=5C=CC=CC5.O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, mixt. with (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate, mixt. contg.
  • Duogynon ampule
  • Jephagynon
  • Klimovan

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Deleted or Replaced CAS Registry Numbers

88161-47-1

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