LBF20306CV02: Difference between revisions
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|LipidBank=XPR8041 | |LipidBank=XPR8041 | ||
|LipidMaps=LMFA03120022 | |LipidMaps=LMFA03120022 | ||
|SysName=4R-{ trans-3- [ (1R,2S) -2- | |SysName=4R- {trans-3- [ (1R,2S) -2- (cis-2-octenyl) -5-oxo-3-cyclopentenyl] -1-propenyl} -4-butanolide | ||
|Common Name=&&Preclavulone lactone II&&(R)-4-{ (E) -3- [ (1R,2S) -2- | |Common Name=&&Preclavulone lactone II&&(R)-4-{ (E) -3- [ (1R,2S) -2- (2Z-octenyl) -5-oxo-3-cyclopentenyl ] -1-propenyl}-4-butanolide&& | ||
|Optical=[ alpha ]_D -110°[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] | |Optical=[ alpha ]_D -110°[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] | ||
|NMR Spectra=^1 H-NMR(500MHz,CDCl_3 ) delta ppm0.89(3H,t,J=7.2Hz),1.2-1.4(6H,m),1.96(1H,m),2.00(2H,brq,J=7.3Hz),2.11(1H,m),2.27(1H,m),2.32(1H,m),2.37(1H,m),2.50(2H,m),2.52(2H,m),2.67(1H,qt,J=2.4,7.0Hz),4.89(1H,q,J=6.7Hz),5.33(1H,brtd,J=7.8,10.9Hz),5.52(1H,brtd,J=7.3,10.9Hz),5.58(1H,brdd,J=6.7,15.2Hz),5.76(1H,brtd,J=7.7,15.2Hz),6.15(1H,dd,J=2.4,5.8Hz),7.58(1H,dd,J=2.4,5.8Hz).[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] ^{13}C-NMR(125MHz,CDCl_3 ) delta ppm14.0,22.5,27.3,28.5,28.7,29.2,31.3,31.5,33.1,46.9,50.2,80.4,125.2,130.1,131.5,133.0,133.1,166.9,176.8,210.6[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] | |NMR Spectra=^1 H-NMR(500MHz,CDCl_3 ) delta ppm0.89(3H,t,J=7.2Hz),1.2-1.4(6H,m),1.96(1H,m),2.00(2H,brq,J=7.3Hz),2.11(1H,m),2.27(1H,m),2.32(1H,m),2.37(1H,m),2.50(2H,m),2.52(2H,m),2.67(1H,qt,J=2.4,7.0Hz),4.89(1H,q,J=6.7Hz),5.33(1H,brtd,J=7.8,10.9Hz),5.52(1H,brtd,J=7.3,10.9Hz),5.58(1H,brdd,J=6.7,15.2Hz),5.76(1H,brtd,J=7.7,15.2Hz),6.15(1H,dd,J=2.4,5.8Hz),7.58(1H,dd,J=2.4,5.8Hz).[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] ^{13}C-NMR(125MHz,CDCl_3 ) delta ppm14.0,22.5,27.3,28.5,28.7,29.2,31.3,31.5,33.1,46.9,50.2,80.4,125.2,130.1,131.5,133.0,133.1,166.9,176.8,210.6[[Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Watanabe_K:Iguchi_K:,Tetrahedron Lett.,1997,38,8319}}]] | ||
Revision as of 05:37, 21 October 2010
| 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 | XPR8041 |
| LipidMaps | LMFA03120022 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20306CV02 |
| Preclavulone lactone II | |
|---|---|
| |
| Structural Information | |
| 4R- {trans-3- [ (1R,2S) -2- (cis-2-octenyl) -5-oxo-3-cyclopentenyl] -1-propenyl} -4-butanolide | |
| |
| Formula | C20H28O3 |
| Exact Mass | 316.203844762 |
| Average Mass | 316.43452 |
| SMILES | C(CC=CC[C@@H]([C@@H]1CC=C[C@@H](C2)OC(=O)C2)C=CC(=O)1)CCC |
| Physicochemical Information | |
| [ α ]D -110° IwashimaMet al. | |
| Preclavulone lactones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al. | |
| Preclavulone lactone may possibly be biosynthesized from preclavulon A. Clavulones may be biosynthesized from preclavulone lactones via clavulolactones by oxygenation at C-12, dehydration between C-7 and C-8, and esterification at C-1 and C-4. Iwashima_M et al. | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H-NMR(500MHz,CDCl3) δ ppm0.89(3H,t,J=7.2Hz),1.2-1.4(6H,m),1.96(1H,m),2.00(2H,brq,J=7.3Hz),2.11(1H,m),2.27(1H,m),2.32(1H,m),2.37(1H,m),2.50(2H,m),2.52(2H,m),2.67(1H,qt,J=2.4,7.0Hz),4.89(1H,q,J=6.7Hz),5.33(1H,brtd,J=7.8,10.9Hz),5.52(1H,brtd,J=7.3,10.9Hz),5.58(1H,brdd,J=6.7,15.2Hz),5.76(1H,brtd,J=7.7,15.2Hz),6.15(1H,dd,J=2.4,5.8Hz),7.58(1H,dd,J=2.4,5.8Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ ppm14.0,22.5,27.3,28.5,28.7,29.2,31.3,31.5,33.1,46.9,50.2,80.4,125.2,130.1,131.5,133.0,133.1,166.9,176.8,210.6 IwashimaMet al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
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