19-Norpregn-4-en-20-yn-3-one, 19-hydroperoxy-17-hydroxy-7-methyl-, (7α,17α)-

CAS Registry Number®

105186-34-3

CAS Name

19-Norpregn-4-en-20-yn-3-one, 19-hydroperoxy-17-hydroxy-7-methyl-, (7α,17α)-

Molecular Formula

C21H28O4

Molecular Mass

344.44

Cite this Page

19-Norpregn-4-en-20-yn-3-one, 19-hydroperoxy-17-hydroxy-7-methyl-, (7α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105186-34-3 (retrieved 2024-11-28) (CAS RN: 105186-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O4/c1-4-20(23)9-7-16-18-13(2)11-14-12-15(22)5-10-21(14,25-24)17(18)6-8-19(16,20)3/h1,12-13,16-18,23-24H,5-11H2,2-3H3/t13-,16+,17+,18+,19+,20+,21-/m1/s1

InChIKey

InChIKey=RURMXFRHKGLDHX-GWXLLEQUSA-N

SMILES

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

Canonical SMILES

O=C1C=C2CC(C)C3C(CCC4(C)C3CCC4(O)C#C)C2(OO)CC1

Other Names for this Substance

  • 19-Norpregn-4-en-20-yn-3-one, 19-hydroperoxy-17-hydroxy-7-methyl-, (7α,17α)-

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