LBF20406CV16
| 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 | XPR8013 |
| LipidMaps | LMFA03120013 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20406CV16 |
| Bromovulone I | |
|---|---|
| |
| Structural Information | |
| Methyl- (5-cis,7-trans) -7- [ 4R-bromo-2- [cis-2-octenyl] -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid | |
| |
| Formula | C21H29BrO4 |
| Exact Mass | 424.12492201599997 |
| Average Mass | 425.35655999999994 |
| SMILES | C(CC=CC[C@](O)(C(=CC=CCCCC(OC)=O)1)C=C(C1=O)Br)CCC |
| Physicochemical Information | |
| [ α ]D +6.0°(C 0.05, MeOH)(Yamada Yasuji) | |
| Bromovulone I is soluble in MeOH, EtOH, CHCl3, or hexane. | |
| Bromovulone I was isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iguchi_K et al. | |
| Bromovulone I showed the strong antiproliferative and cytotoxic activities in himan promyelocytic leukemia (HL-60) ((IC_{50} 0.025 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 | EIMS m/z 424 and 426 (1:1) IguchiKet al. |
| UV Spectra | λ EtOH max 247 nm( ε 12000),312 nm( ε 12000) IguchiKet al. |
| IR Spectra | ν max(CHCl3)3300,1730, 1700, and 1630cm-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),1.98(2H,brq,J=7.0Hz),2.36(2H,t,J=7.4Hz),2.42(2H,m),2.66(1H,brdd,J=7.8,14.9Hz),2.81(1H,brdd,J=7.6,14.9Hz),3.69(3H,s),5.22(1H,brtd,J=7.8,11.0Hz),5.55(1H,brtd,J=7.0,11.0Hz),6.11(1H,brtd,J=7.3,10.9Hz),6.77(1H,brdd,J=10.9,12.6Hz),7.35(1H,d,J=12.6Hz),7.43(1H,d,J=0.5Hz). IguchiKet al. |
| Other Spectra | CD λ ext(EtOH)( Δ ε )nm 235(+5.6),260(-3.0),360(+1.2). IguchiKet al. |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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