LBF20406CV04: Difference between revisions
No edit summary |
No edit summary |
||
(2 intermediate revisions by the same user not shown) | |||
Line 6: | Line 6: | ||
|LipidBank=XPR8043 | |LipidBank=XPR8043 | ||
|LipidMaps=LMFA03120024 | |LipidMaps=LMFA03120024 | ||
|SysName= | |SysName=Methyl-4R- (trans-5,cis-7) -4-acetoxy-7- [2R-acetoxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene] -5-heptenoate te | ||
|Common Name=&&4- | |Common Name=&&4-epi Clavulone III&&Methyl-4R- (5E,7Z) -4-acetoxy-7- [2R-acetoxy-2- (2Z-octenyl) -5-oxo-3-cyclopentenylidene] -5-heptenoate te&& | ||
|Optical=[ alpha ]_D -10.0°(C 0.06, CHCl_3 )[[Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884}}]] | |Optical=[ alpha ]_D -10.0°(C 0.06, CHCl_3 )[[Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884}}]] | ||
|Mass Spectra=EIMS m/z 446 (M^+ ). HREIMS m/z 446.2328 for C_{25}H_{34}O_7 (M^+ ), calcd 446.2305.[[Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884}}]] | |Mass Spectra=EIMS m/z 446 (M^+ ). HREIMS m/z 446.2328 for C_{25}H_{34}O_7 (M^+ ), calcd 446.2305.[[Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Miyai_Y:Iguchi_K:,Chem. Pharm. Bull. (Tokyo),1999,47,884}}]] |
Latest revision as of 05:53, 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 | XPR8043 |
LipidMaps | LMFA03120024 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20406CV04 |
4-epi Clavulone III | |
---|---|
Structural Information | |
Methyl-4R- (trans-5,cis-7) -4-acetoxy-7- [2R-acetoxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene] -5-heptenoate te | |
| |
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 | |
[ α ]D -10.0°(C 0.06, CHCl3) IwashimaMet al. | |
4-Epiclavulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al. | |
4-Epiclavulone III was synthesized from clavulone III. Iwashima_M et al. | |
Spectral Information | |
Mass Spectra | EIMS m/z 446 (M+). HREIMS m/z 446.2328 for C25}H_{34O7 (M+), calcd 446.2305. IwashimaMet al. |
UV Spectra | λ EtOH max 229 nm(log ε 4.23),295 nm(log ε 4.14) IwashimaMet al. |
IR Spectra | ν film max 1738,1698 and 1229cm-1 IwashimaMet al. |
NMR Spectra | 1H-NMR(500MHz,CDCl3) δ ppm0.88(3H,t,J=7.1Hz),1.21-1.34(6H,m),1.94(2H,q,J=7.3Hz),1.99-2.07(2H,m),2.03(3H,s),2.09(3H,s),2.40(2H,t,J=7.4Hz),2.63(1H,dd,J=7.3,14.2Hz),2.87(1H,dd,J=8.1,14.2Hz),3.68(3H,s),5.21(1H,ddd,J=7.3,8.1,10.9Hz),5.45(1H,dd,J=5.4,5.8Hz),5.53(1H,dt,J=7.3,10.9Hz),6.01(1H,dd,J=5.4,15.6Hz),6.35(1H,d,J=6.1Hz),6.51(1H,d,J=11.3Hz),7.51(1H,d,J=6.1Hz),7.73(1H,ddd,J=1.3,11.3,15.6Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ ppm14.0,21.0,21.7,22.5,27.4,29.0,29.2,29.7,31.5,35.6,51.7,72.4,85.2,121.3,126.3,133.4,134.7,135.6,136.7,141.0,156.1,169.7,170.2,173.2,194.1. IwashimaMet al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|
|