30557-81-4

Name (+)-Bisabolangelone
CAS 30557-81-4
Molecular Formula C15H20O3
MDL Number MFCD14105600
Molecular Weight 248.32
MOL File 30557-81-4.mol

Chemical Properties

Melting point  157-158 °C
Boiling point  396.0±42.0 °C(Predicted)
density  1.154±0.06 g/cm3(Predicted)
storage temp.  4°C, protect from light
solubility  Soluble in DMSO
form  Solid
pka 14.54±0.40(Predicted)
color  Off-white to yellow
InChI InChI=1S/C15H20O3/c1-9(2)5-6-13-15(4,17)14-11(16)7-10(3)8-12(14)18-13/h5-7,12,14,17H,8H2,1-4H3/b13-6-/t12-,14+,15-/m0/s1
InChIKey GNWNPLBSEQDDQV-VRBKASCLSA-N
SMILES O1[C@@]2([H])CC(C)=CC(=O)[C@@]2([H])[C@](O)(C)/C/1=C/C=C(/C)\C

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