19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3β,17α)-, mixt. with (17α)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol

CAS Registry Number®

8056-92-6
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CAS Name

19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3β,17α)-, mixt. with (17α)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol

Molecular Formula

C24H32O4.C21H26O2

Cite this Page

19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3β,17α)-, mixt. with (17α)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=8056-92-6 (retrieved 2024-04-27) (CAS RN: 8056-92-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O4.C21H26O2/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4;1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,14,18-22H,6-13H2,2-4H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22-,23-,24-;17-,18-,19+,20+,21+/m01/s1

InChIKey

InChIKey=XMYDGQYDNOTOQB-KLWRJHENSA-N

SMILES

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

Canonical SMILES

O=C(OC1C=C2CCC3C(CCC4(C)C3CCC4(C#C)OC(=O)C)C2CC1)C.C#CC1(O)CCC2C3CCC4=CC(OC)=CC=C4C3CCC21C

Other Names for this Substance

  • 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3β,17α)-, mixt. with (17α)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
  • 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17α)-, mixt. contg.
  • Metrulen
  • Ovulen
  • Metrulen M

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Deleted or Replaced CAS Registry Numbers

8064-68-4, 8067-89-8

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