(17α)-17-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

CAS Registry Number®

2787-02-2

CAS Name

(17α)-17-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

Molecular Formula

C22H28O3

Molecular Mass

340.46

Cite this Page

(17α)-17-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2787-02-2 (retrieved 2024-11-24) (CAS RN: 2787-02-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

InChIKey

InChIKey=FYEOMZSZJFOTGQ-LHZXLZLDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C(=CO)C4)(CC1)[H])[H])(CC[C@]2(C#C)O)[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C#C)C2(C)CC1=CO

Other Names for this Substance

  • Pregn-4-en-20-yn-3-one, 17-hydroxy-2-(hydroxymethylene)-, (17α)-
  • 17α-Pregn-4-en-20-yn-3-one, 17-hydroxy-2-(hydroxymethylene)-
  • Testosterone, 17-ethynyl-2-(hydroxymethylene)-
  • (17α)-17-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

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