19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-6-hydroxy-, (6α,17α)-

CAS Registry Number®

6856-28-6
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CAS Name

19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-6-hydroxy-, (6α,17α)-

Molecular Formula

C22H28O4

Molecular Mass

356.46

Cite this Page

19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-6-hydroxy-, (6α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6856-28-6 (retrieved 2024-04-27) (CAS RN: 6856-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20+,21+,22+/m1/s1

InChIKey

InChIKey=NVEXGWVOAPQSMX-OARMXLMKSA-N

SMILES

O(C(C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C([C@@H](O)C3)=CC(=O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1(C#C)CCC2C3CC(O)C4=CC(=O)CCC4C3CCC21C)C

Other Names for this Substance

  • 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-6-hydroxy-, (6α,17α)-

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