145-14-2

Name 4-PREGNEN-20-ALPHA-OL-3-ONE
CAS 145-14-2
EINECS(EC#) 205-649-5
Molecular Formula C21H32O2
MDL Number MFCD00009823
Molecular Weight 316.48
MOL File 145-14-2.mol
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Chemical Properties

Melting point  171-172 °C
Boiling point  451.7±14.0 °C(Predicted)
density  1.13 g/cm3
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
form  Solid
pka 15.05±0.20(Predicted)
color  White to Off-White
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey RWBRUCCWZPSBFC-RXRZZTMXSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@@H](O)C)CC3)CC2

Safety Data

WGK Germany  3
RTECS  TU5559900

Hazard Information

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