Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal)

CAS Registry Number®

809-01-8
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CAS Name

Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal)

Molecular Formula

C26H38O5

Molecular Mass

430.58

Cite this Page

Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=809-01-8 (retrieved 2024-04-19) (CAS RN: 809-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-187 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H38O5/c1-16-14-19-20(23(4)10-11-25(15-22(16)23)29-12-13-30-25)6-8-24(5)21(19)7-9-26(24,17(2)27)31-18(3)28/h19-21H,6-15H2,1-5H3/t19-,20+,21+,23-,24+,26+/m1/s1

InChIKey

InChIKey=UOYMGHSCINLOBK-ZKKYLISVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=C(C)C3)CC5(CC4)OCCO5)[H])[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3CC(=C4CC5(OCCO5)CCC4(C)C3CCC21C)C)C

Other Names for this Substance

  • Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal)
  • Pregn-5-ene-3,20-dione, 17-hydroxy-6-methyl-, cyclic 3-(ethylene acetal), acetate
  • 3,3-Ethylenedioxy-17-acetoxy-6-methylpregn-5-en-20-one
  • Edogesterone
  • PH 218

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Deleted or Replaced CAS Registry Numbers

51922-89-5

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