Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-

CAS Registry Number®

124-85-6
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CAS Name

Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-

Molecular Formula

C23H32O2

Molecular Mass

340.50

Cite this Page

Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124-85-6 (retrieved 2024-05-19) (CAS RN: 124-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-127.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1

InChIKey

InChIKey=SQRBBVVZRKZEPF-OWNQEUAMSA-N

SMILES

O(C(C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)[C@@](CC3)(CC=CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1(C#C)CCC2C3CCC4CC=CCC4(C)C3CCC21C)C

Other Names for this Substance

  • Pregn-2-en-20-yn-17-ol, 17-acetate, (5α,17α)-
  • 5α,17α-Pregn-2-en-20-yn-17-ol, acetate
  • Pregn-2-en-20-yn-17-ol, acetate, (5α,17α)-
  • 17α-Ethynyl-5α-androst-2-en 17β-acetate
  • 17α-Ethynyl-5α-androst-2-en-17β-ol 17β-acetate

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