illudin S Structure

illudin S

Chemical Properties

Melting point 124-126℃
Boiling point 327.55°C (rough estimate)
Density  1.0583 (rough estimate)
refractive index  1.4300 (estimate)
storage temp.  -20°C, Inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  A light yellow solid
pka 12.50±0.70(Predicted)
color  Off-white to yellow
InChI InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey DDLLIYKVDWPHJI-RDBSUJKOSA-N
SMILES C12([C@](O)(C)C(=O)C3C(=C1C)[C@@H](O)[C@@](CO)(C)C=3)CC2
FDA UNII EWJ0GY2H7X

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