17α-Ethynyl-17-hydroxy-5α-androstan-3-one
CAS Registry Number®
13611-97-7
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CAS Name
17α-Ethynyl-17-hydroxy-5α-androstan-3-oneMolecular Formula
C21H30O2Molecular Mass
314.46Cite this Page
17α-Ethynyl-17-hydroxy-5α-androstan-3-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13611-97-7 (retrieved ) (CAS RN: 13611-97-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
287.4-289.4 °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/h1,14,16-18,23H,5-13H2,2-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
InChIKey=PVHMKHVQVIUQIP-JJFNZWTKSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])(CC1)[H])[H])(CC[C@]2(C#C)O)[H]
Canonical SMILES
O=C1CCC2(C)C(C1)CCC3C2CCC4(C)C3CCC4(O)C#C
Other Names for this Substance
- Pregn-20-yn-3-one, 17-hydroxy-, (5α,17α)-
- 5α,17α-Pregn-20-yn-3-one, 17-hydroxy-
- (5α,17α)-17-Hydroxypregn-20-yn-3-one
- 17α-Ethynyl-5α-androstan-17β-ol-3-one
- 17α-Ethynyl-17β-hydroxyandrostan-3-one
