LBF21406CV05

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Upper classes



20-acetoxyclavulone I <<8024>>
LBF21406CV05.png
Structural Information
Systematic Name methyl (4R,5Z,7E) -4-acetoxy-7- [ (S) -2-acetoxy-2- [ (Z) -7-acetoxy-2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate
Common Name
  • 20-acetoxyclavulone I <<8024>>
Symbol
Formula C27H36O9
Exact Mass 504.23593274999996
Average Mass 504.56934
SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index [a]D -31.1°(C 0.09, CHCl3)<<8024>>
Solubility 20-Acetoxyclavulones are soluble in MeOH, EtOH, CHCl3, or hexane.
Spectral Information
Mass Spectra
UV Spectra lmax(EtOH) 230 nm(e10900),288 nm(e13700)<<8024>>
IR Spectra nmax(film)1735,1705,1640,and 1235cm-1<<8024>>
NMR Spectra 1H-NMR(270MHz,CDCl3)dppm2.03(3H,s),2.05(6H,s),2.38(2H,t,J=7.5Hz),2.66(1H,dd,J=8,14.5Hz),3.00(1H,dd,J=7,14.5Hz),3.70(3H,s),4.04(2H,t,J=6.6Hz),5.22(1H,m),5.47(1H,m),5.79(1H,m),5.79(1H,m),5.84(1H,t,J=10.2Hz),6.42(1H,d,J=6.3Hz),6.58(1H,dd,J=10.2,12.5Hz),7.27(1H,d,J=12.5Hz), 7.47(1H,d,J=6.3Hz).<<8024>>13C-NMR(67.8MHz,CDCl3)dppm21.0(q,2C),21.3(q),25.6(t),27.3(t),28.5(t),29.0(t),29.8(t,2C),35.8(t),51.8(q),64.5(t),69.4(d),85.1(s),121.5(d),124.2(d),124.6(d),134.5(d),135.2(d),137.4(s),138.9(d),157.8(d),169.1(s),169.9(s),171.2(s),172.9(s),193.1(s).<<8024>>
Chromatograms




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