19914-67-1

Name 13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one
CAS 19914-67-1
Molecular Formula C21H28O2
Molecular Weight 312.45
MOL File 19914-67-1.mol
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Chemical Properties

Melting point  169-171?C
Boiling point  454.0±45.0 °C(Predicted)
density  1.14±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 13.10±0.40(Predicted)
Major Application pharmaceutical (small molecule)
InChI 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,17-19,23H,3,5-13H2,1H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey QCMLVDXPKCBMFQ-MJCUULBUSA-N
SMILES O[C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(CC3)CC(=O)CC4)CC1)CC)C#C

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