LBF20406CV17
| LipidBank Top (トップ) |
Fatty acid (脂肪酸) |
Glycerolipid (グリセロ脂質) |
Sphingolipid (スフィンゴ脂質) |
Journals (雑誌一覧) |
How to edit (ページの書き方) |
| IDs and Links | |
|---|---|
| LipidBank | XPR8014 |
| LipidMaps | LMFA03120014 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20406CV17 |
| Iodovulone I | |
|---|---|
| |
| Structural Information | |
| Methyl- (cis-5,trans-7) -7- [ 4R-4-iodoo-2-hydroxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid | |
| |
| Formula | C21H29IO4 |
| Exact Mass | 472.111052416 |
| Average Mass | 472.35732999999993 |
| SMILES | C(C(=CC=CCCCC(OC)=O)1)(C(=C[C@@](O)1CC=CCCCCC)I)=O |
| Physicochemical Information | |
| [ α ]D +15.2°(C 0.07, MeOH)(Yamada Yasuji) | |
| Iodovulone I is soluble in MeOH, EtOH, CHCl3, or hexane. | |
| Iodovulone I was isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iguchi_K et al. | |
| Iodovulone I showed the strong antiproliferative and cytotoxic activities in himan promyelocytic leukemia (HL-60) ((IC^{50} 0.06 mu g/ml, cytotoxic effect >0.4 mu g/ml). Honda_A et al. Honda_A et al. Iguchi_K et al. | |
| Spectral Information | |
| Mass Spectra | CIMS m/z 473 (M+1) IguchiKet al. |
| UV Spectra | λ max(EtOH) 240 nm( ε 22000),313 nm( ε 19500) IguchiKet al. |
| IR Spectra | ν max(CHCl3)3300,1720, 1690, and 1620cm-1 IguchiKet al. |
| NMR Spectra | 1H-NMR(400MHz,CDCl3) δ ppm0.89(3H,t,J=7.2Hz),1.30(6H,m),1.80(2H,quint.,J=7.4Hz),1.97(2H,brq,J=7.7Hz),2.36(2H,t,J=7.4Hz),2.42(2H,m),2.65(1H,brdd,J=7.7,14.3Hz),2.78(1H,brdd,J=7.4,14.3Hz),3.69(3H,s),5.21(1H,brtd,J=7.7,11.0Hz),5.55(1H,brtd,J=7.4,11.0Hz),6.10(1H,tdd,J=7.9,0.9,10.9Hz),6.77(1H,brdd,J=10.9,12.6Hz),7.34(1H,d,J=12.6Hz),7.69(1H,d,J=0.5Hz). IguchiKet al. |
| Other Spectra | CD λ ext(EtOH)( Δ ε )nm 235(+11.4),260(-5.3),365(+2.7). IguchiKet al. |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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