Identification Chemical Properties Hazard Information Supplier Related Products

33627-41-7

Name inulicin
CAS 33627-41-7
Molecular Formula C17H24O5
Molecular Weight 308.37
MOL File 33627-41-7.mol

Chemical Properties

Melting point  124.0-126.1 °C
Boiling point  481.7±45.0 °C(Predicted)
density  1.16
storage temp.  4°C, protect from light
solubility  DMSO: soluble
form  A solid
pka 13.71±0.60(Predicted)
color  White to off-white
biological source plant
InChI InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1
InChIKey QKUFZFLZBUSEHN-CZLJMHDISA-N
SMILES O1[C@]2([H])CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](O)[C@]2([H])C(=C)C1=O

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