1449-61-2

Name Androst-5-en-3-ol-7,17-dione acetate
CAS 1449-61-2
EINECS(EC#) 683-490-4
Molecular Formula C21H28O4
MDL Number MFCD00198501
Molecular Weight 344.44
MOL File 1449-61-2.mol
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Chemical Properties

Melting point  184.5-187.5 °C
Boiling point  479.6±45.0 °C(Predicted)
density  1.17±0.1 g/cm3(Predicted)
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15-,16-,19-,20-,21-/s3
InChIKey VVSMJVQHDZUPIL-XHRCOXFGNA-N
SMILES [C@@]12([H])C(=O)C=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O |&1:0,7,14,16,20,25,r|
CAS DataBase Reference 1449-61-2(CAS DataBase Reference)

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