Ethynylandrostenediol

CAS Registry Number®

3604-60-2

CAS Name

Ethynylandrostenediol

Molecular Formula

C21H30O2

Molecular Mass

314.46

Cite this Page

Ethynylandrostenediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3604-60-2 (retrieved 2024-11-25) (CAS RN: 3604-60-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-240 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,5,15-18,22-23H,6-13H2,2-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1

InChIKey

InChIKey=VGJUOWGYQZYCII-TVWVXWENSA-N

SMILES

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

Canonical SMILES

C#CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregn-5-en-20-yne-3,17-diol, (3β,17α)-
  • 17α-Pregn-5-en-20-yne-3β,17-diol
  • (3β,17α)-Pregn-5-en-20-yne-3,17-diol
  • SKF 2856
  • 17α-Ethinylandrost-5-ene-3β,17β-diol

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