LBF20207PG76

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR8051
LipidMaps	LMFA03010097
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207PG76

Prostaglandin F2α-11-acetate methyl ester
Structural Information
Systematic Name	Methyl- (8R,9S,11R,12R,15S) -11-Acetoxy-9,15-dihydroxyprost- (cis-5,trans-13) -dienoic acid
Common Name	Prostaglandin F2α-11-acetate methyl ester Methyl- (8R,9S,11R,12R,15S) -11-Acetoxy-9,15-dihydroxyprost- (5Z,13E) -dienoic acid
Symbol
Formula	C23H38O6
Exact Mass	410.266838948
Average Mass	410.54422
SMILES	[C@@H]([C@@H]1C=C[C@H](CCCCC)O)(C[C@@H]([C@@H]1CC=CCCCC(=O)OC)O)OC(C)=O
Physicochemical Information
Melting Point	55°(hexane) Carmely_S et al.
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	Prostaglandin F_2 alpha -11-acetate methyl ester was isolated from soft coral, Lobophyton depressum. Carmely_S et al.
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	CIMS m/z 411 ([M++1], 1), 392(7), 350(6), 332(98),314(100),288(2),282(15). CarmelySet al.
UV Spectra
IR Spectra	ν KBr max   3700, 3610, 3510, 1740, 1730, and 970 cm-1 CarmelySet al.
NMR Spectra	1H-NMR(270MHz,CDCl3) δ ppm0.88(3H,t,J=6.0Hz),1.26(6H,brs),2.04(3H,s),2.32(2H,t,J=7.2Hz),2.39(1H,ddd,J=15.2,9.0,5.4Hz),2.55(1H,ddd,J=11.8,8.4,7.0Hz),3.67(3H,s),4.08(1H,q,J=6.1Hz),4.17(1H,dd,J=5.4,3.5Hz),4.90(1H,ddd,J=9.0,7.0,3.8Hz),5.41(2H,m),5.53(1H,m),5.55(1H,m). CarmelySet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207PG76 See above. Carmely_S et al. 1980