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Epistane  Structure

Epistane

Chemical Properties

Melting point 168-169℃
Boiling point 427.0±38.0 °C(Predicted)
Density  1.113
pka 15.16±0.60(Predicted)
InChI InChI=1S/C20H32OS/c1-18-11-17-16(22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)21/h12-17,21H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18-,19-,20-/m0/s1
InChIKey UPLPHRJJTCUQAY-WIRWPRASSA-N
SMILES C[C@]12C[C@@]3([H])S[C@@]3([H])C[C@]1([H])CC[C@@]1([H])[C@]3([H])CC[C@@]([C@]3(CC[C@]21[H])C)(O)C

Safety Information

DEA Controlled Substances CSCN: 4000
CSA SCH: Schedule III
NARC: No

Usage And Synthesis

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