96996-50-8

Name cyanosafracin B
CAS 96996-50-8
Molecular Formula C29H35N5O6
Molecular Weight 549.62
MOL File 96996-50-8.mol
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Chemical Properties

Boiling point  776.2±60.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 9.61±0.70(Predicted)
color  Light yellow to yellow
InChIKey BHINEHROXMLHMV-BVRLQDJESA-N
SMILES C(NC[C@@H]1N2[C@@]([H])(CC3=C1C(=O)C(OC)=C(C)C3=O)[C@]1([H])N(C)[C@@]([H])(CC3=CC(C)=C(OC)C(O)=C31)[C@@H]2C#N)(=O)[C@@H](N)C

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