LBF20406CV18
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 | |
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LipidBank | XPR8034 |
LipidMaps | LMFA03120015 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20406CV18 |
Clavulolactone I | |
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Structural Information | |
4R-{ (1-cis,3-trans) -3-[ 2S-acetoxy-2- [cis-2-octenyl] -5-oxo-3-cyclopentenylidene ] -1-propenyl}-4-butanolide | |
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Formula | C22H28O5 |
Exact Mass | 372.193674006 |
Average Mass | 372.45472000000007 |
SMILES | CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 |
Physicochemical Information | |
[ α ]D -7.8°(C 0.26, CHCl3) IwashimaMet al. | |
Clavulolactones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al. Iguchi_K et al. | |
Clavulolactone I was converted from clavulone I. Iwashima_M et al. | |
Spectral Information | |
Mass Spectra | EIMS m/z 372 (M+). HREIMS m/z 372.1916 for C22}H_{28O5, calcd 372.1937. IwashimaMet al. |
UV Spectra | λ EtOH max 231 nm(log ε 4.14),292 nm(log ε 4.20) IwashimaMet al. |
IR Spectra | ν film max 1770,1732, 1704, 1643, and 1230cm-1 IwashimaMet al. |
NMR Spectra | 1H-NMR(500MHz,CDCl3) δ ppm0.88(3H,t,J=6.9Hz),1.20-1.35(6H,m),1.94(2H,m),1.97-2.04(1H,m),2.04(3H,s),2.48-2.58(1H,m),2.60(1H,d,J=9.5Hz),2.62(1H,dd,J=2.5,9.5Hz),2.70(1H,dd,J=8.3,14.6Hz),2.93(1H,dd,J=6.9,14.6Hz),5.18(1H,ddd,J=6.9,8.3,10.8Hz),5.53(1H,q,J=7.3Hz),5.53-5.59(1H,m),6.01(1H,ddd,J=0.6,8.7,10.9Hz),6.45(1H,d,J=6.1Hz),6.67(1H,ddd,J=1.2,10.9,12.8Hz),7.01(1H,d,J=12.8Hz),7.48(1H,d,J=6.1Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ ppm14.0,21.3,22.5,27.4,29.7,29.0,29.3,31.5,36.0,75.5,85.1,120.7,123.3,125.0,135.1,135.4,138.2,138.4,158.2,169.2,176.3,193.3. IwashimaMet al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | |||||||||||||||
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