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111149-87-2

Name LUFFARIELLOLIDE
CAS 111149-87-2
Molecular Formula C25H38O3
MDL Number MFCD00211056
Molecular Weight 386.57
MOL File 111149-87-2.mol

Chemical Properties

Boiling point  541.7±50.0 °C(Predicted)
density  1.006±0.06 g/cm3(Predicted)
solubility  DMSO: soluble; Ethanol: soluble
form  Pale yellow oil.
pka 9.98±0.40(Predicted)
InChI InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKey JPWPYTMXSXYUPG-QZPYEDBESA-N
SMILES O1C(O)C(CC/C=C(\C)/CC/C=C(\C)/CCC2C(C)(C)CCCC=2C)=CC1=O

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