Androstenedione cyanohydrin

CAS Registry Number®

77881-13-1
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CAS Name

Androstenedione cyanohydrin

Molecular Formula

C20H27NO2

Molecular Mass

313.43

Cite this Page

Androstenedione cyanohydrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77881-13-1 (retrieved 2024-08-14) (CAS RN: 77881-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20+/m1/s1

InChIKey

InChIKey=JYCSLUASXDFIEL-HLXURNFRSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2(C#N)O)[H]

Canonical SMILES

N#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Androst-4-ene-17-carbonitrile, 17-hydroxy-3-oxo-, (17α)-
  • (17α)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
  • 17β-Cyano-17α-hydroxyandrost-4-en-3-one
  • 17α-Hydroxy-17β-cyanoandrost-4-en-3-one
  • Androstenedione cyanohydrin