Cyanoketone

CAS Registry Number®

4248-66-2

CAS Name

Cyanoketone

Molecular Formula

C23H33NO2

Molecular Mass

355.51

Cite this Page

Cyanoketone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4248-66-2 (retrieved 2024-11-28) (CAS RN: 4248-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226.8-229.6 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H33NO2/c1-20(2)18-7-6-15-16(21(18,3)12-14(13-24)19(20)25)8-10-22(4)17(15)9-11-23(22,5)26/h7,14-17,26H,6,8-12H2,1-5H3/t14-,15+,16-,17-,21+,22-,23-/m0/s1

InChIKey

InChIKey=GTBRTGPZZALPNS-MXHVRSFHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@](C)(O)CC4)[H])(CC=C1C(C)(C)C(=O)[C@H](C#N)C2)[H])[H]

Canonical SMILES

N#CC1C(=O)C(C2=CCC3C(CCC4(C)C3CCC4(O)C)C2(C)C1)(C)C

Other Names for this Substance

  • Androst-5-ene-2-carbonitrile, 17-hydroxy-4,4,17-trimethyl-3-oxo-, (2α,17β)-
  • Androst-5-ene-2α-carbonitrile, 17β-hydroxy-4,4,17-trimethyl-3-oxo-
  • (2α,17β)-17-Hydroxy-4,4,17-trimethyl-3-oxoandrost-5-ene-2-carbonitrile
  • Cyanotrimethylandrostenolone
  • 2α-Cyano-4,4,17α-trimethyl-5-androsten-17β-ol-3-one

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