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Rotundine Structure

Rotundine

Chemical Properties

Melting point 140-1°C
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
InChIKey AEQDJSLRWYMAQI-UHFFFAOYSA-N
SMILES C12CC3=C(C(OC)=C(OC)C=C3)CN1CCC1C=C(OC)C(OC)=CC2=1
LogP 0.591 (est)
CAS DataBase Reference 10097-84-4(CAS DataBase Reference)
FDA UNII 3X69CO5I79

Safety

Safety Statements  24/25
HS Code  29339900

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