477-49-6

Name Podophyllotoxone
CAS 477-49-6
Molecular Formula C22H20O8
MDL Number MFCD02183443
Molecular Weight 412.39
MOL File 477-49-6.mol

Chemical Properties

Melting point  191.73℃
Boiling point  602.3±55.0 °C(Predicted)
density  1.365±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  4°C, away from moisture and light
solubility  DMSO : 100 mg/mL (242.49 mM; Need ultrasonic)
form  Solid
color  White to off-white
InChI InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
InChIKey ISCQYPPCSYRZOT-BKTGTZMESA-N
SMILES O1C2=CC3=C(C=C2OC1)C(=O)[C@@]1([H])COC(=O)[C@]1([H])[C@@H]3C1=CC(OC)=C(OC)C(OC)=C1

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