LBF20406CV03: Difference between revisions
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|SysName=methyl (4R,5E,7E) -4-acetoxy-7- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate | |SysName=methyl (4R,5E,7E) -4-acetoxy-7- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate | ||
|Common Name=&&4-epiclavulone II&&methyl (4R,5E,7E) -4-acetoxy-7- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate&& | |Common Name=&&4-epiclavulone II&&methyl (4R,5E,7E) -4-acetoxy-7- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate&& | ||
|Optical=[ | |Optical=[alpha]_D -18.7°(C 0.30, 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 | |Mass Spectra=EIMS m/z 446 (M^+ ). HREIMS m/z 446.2315 for C_2 _5 H_3 _4 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}}]] | ||
|UV Spectra= | |UV Spectra=lambda^E_m _a _x 228 nm(log epsilon4.28),291 nm(log epsilon4.27)[[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}}]] | ||
|IR Spectra= | |IR Spectra=nu^f_m _a _x 1738,1732,1704,1644,and 1232cm^- ^1 [[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}}]] | ||
|NMR Spectra= | |NMR Spectra=^1 H-NMR(500MHz,CDCl_3 )deltappm0.88(3H,t,J=7.2Hz),1.20-1.34(6H,m),1.94(2H,q,J=6.8Hz),1.98-2.06(2H,m),2.03(3H,s),2.09(3H,s),2.37(2H,t,J=7.4Hz),2.71(1H,dd,J=8.4,14.1Hz),2.98(1H,dd,J=7.0,14.1Hz),3.67(3H,s),5.18(1H,ddd,J=7.0,8.4,10.9Hz),5.43(1H,dt,J=6.4,7.0Hz),5.50(1H,dt,J=7.4,10.9Hz),6.07(1H,dd,J=6.4,11.9Hz),6.41(1H,d,J=6.1Hz),6.70(1H,ddd,J=1.0,11.9,15.1Hz),6.88(1H,d,J=15.1Hz),7.48(1H,d,J=6.1Hz).[[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}}]] ^1 ^3 C-NMR(125MHz,CDCl_3 )deltappm14.0,20.9,21.2,22.5,27.4,29.1,29.2,29.6,31.5,35.9,51.8,72.7,85.3,121.1,126.0,129.4,135.1,135.1,136.7,141.5,157.9,169.2,169.9,172.9,193.4.[[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}}]] | ||
|Source=4-Epiclavulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard.[[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}}]] | |Source=4-Epiclavulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard.[[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}}]] | ||
|Chemical Synthesis=4-Epiclavulone II was synthesized from clavulone II.[[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}}]] | |Chemical Synthesis=4-Epiclavulone II was synthesized from clavulone II.[[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}}]] |
Revision as of 14:00, 19 February 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 | |
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LipidBank | XPR8042 |
LipidMaps | LMFA03120023 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20406CV03 |
4-epiclavulone II | |
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Structural Information | |
methyl (4R,5E,7E) -4-acetoxy-7- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] -5-heptenoate | |
| |
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 -18.7°(C 0.30, CHCl3) IwashimaMet al. | |
4-Epiclavulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al. | |
4-Epiclavulone II was synthesized from clavulone II. Iwashima_M et al. | |
Spectral Information | |
Mass Spectra | EIMS m/z 446 (M+). HREIMS m/z 446.2315 for C25H34O7 (M+), calcd 446.2305. IwashimaMet al. |
UV Spectra | λE m ax 228 nm(log ε4.28),291 nm(log ε4.27) IwashimaMet al. |
IR Spectra | νf m ax1738,1732,1704,1644,and 1232cm-1 IwashimaMet al. |
NMR Spectra | 1H-NMR(500MHz,CDCl3)deltappm0.88(3H,t,J=7.2Hz),1.20-1.34(6H,m),1.94(2H,q,J=6.8Hz),1.98-2.06(2H,m),2.03(3H,s),2.09(3H,s),2.37(2H,t,J=7.4Hz),2.71(1H,dd,J=8.4,14.1Hz),2.98(1H,dd,J=7.0,14.1Hz),3.67(3H,s),5.18(1H,ddd,J=7.0,8.4,10.9Hz),5.43(1H,dt,J=6.4,7.0Hz),5.50(1H,dt,J=7.4,10.9Hz),6.07(1H,dd,J=6.4,11.9Hz),6.41(1H,d,J=6.1Hz),6.70(1H,ddd,J=1.0,11.9,15.1Hz),6.88(1H,d,J=15.1Hz),7.48(1H,d,J=6.1Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3)deltappm14.0,20.9,21.2,22.5,27.4,29.1,29.2,29.6,31.5,35.9,51.8,72.7,85.3,121.1,126.0,129.4,135.1,135.1,136.7,141.5,157.9,169.2,169.9,172.9,193.4. IwashimaMet al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||
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