571-31-3

Name 5BETA-ANDROSTAN-3BETA-OL-17-ONE
CAS 571-31-3
Molecular Formula C19H30O2
MDL Number MFCD00064135
Molecular Weight 290.44
MOL File 571-31-3.mol
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Chemical Properties

Melting point  117-119 °C
Boiling point  413.1±45.0 °C(Predicted)
density  1.085±0.06 g/cm3(Predicted)
pka 15.14±0.60(Predicted)
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
InChIKey QGXBDMJGAMFCBF-XRJZGPCZSA-N
SMILES [C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2

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