LBF21406CV02

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clavulone II<<8001/8003>>/claviridenone-c<<8002/8006>>
LBF21406CV02.png
Structural Information
Systematic Name methyl (4R,5E,7E) -4-acetoxy-7- [ (S) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate
Common Name
  • clavulone II<<8001/8003>>/claviridenone-c<<8002/8006>>
Symbol
Formula C25H34O7
Exact Mass 446.230453442
Average Mass 446.53326000000004
SMILES O(C(C)=O)[C@@](C1=CC=C[C@@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index [a]D +10.9°(C 0.35, CHCl3)<<8001>>
Solubility Clavulones are soluble in MeOH, EtOH, CHCl3, or hexane.
Spectral Information
Mass Spectra
UV Spectra lmax(EtOH) 230 nm(e14500),292 nm(e19300) <<8001>>
IR Spectra nmax(film)1730,1700,1640,and 1230cm-1<<8001>>
NMR Spectra 1H-NMR(270MHz,CDCl3)dppm0.88(3H,t,J=6.9Hz),2.07(3H,s),2.08(3H,s),2.38(2H,t,J=7.5Hz),2.69(1H,dd,J=8,14.5Hz),2.88(1H,dd,J=7,14.5Hz),3.68(3H,s),5.22(1H,m),5.52(1H,dt,J=10.9,8Hz),5.42(1H,q,J=7Hz),6.02(1H,dd,J=7,14.5Hz),6.41(1H,d,J=6.3Hz),6.75(1H,dd,J=11.6,14.5Hz),6.87(1H,d,J=11.6Hz),7.47(1H,d,J=6.3Hz).<<8001>>13C-NMR(67.8MHz,CDCl3)dppm14.0(q),21.0(q),21.2(q),22.5(t),27.4(t),29.1(t),29.1(t),29.6(t),31.5(t),36.0(t),51.8(q),72.8(d),85.1(s),121.1(d),126.9(d),129.3(d),135.0(d),137.0(s),141.3(d),158.1(d),169.5(s),169.9(s),172.9(s),193.4(s).<<8001>>
Chromatograms




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