LBF20207PG78

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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	XPR8053
LipidMaps	LMFA03010099
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207PG78

18-acetoxy Prostaglandin F2α-11-acetate methyl ester
Structural Information
Systematic Name	Methyl- (8R,9S,11R,12R,15S) -11,18-diacetoxy-9,15-dihydroxyprost- (cis-5,trans-13) -dienoic acid
Common Name	18-acetoxy Prostaglandin F2α-11-acetate methyl ester Methyl- (8R,9S,11R,12R,15S) -11,18-diacetoxy-9,15-dihydroxyprost- (5Z,13E) -dienoic acid
Symbol
Formula	C25H40O8
Exact Mass	468.27231825599995
Average Mass	468.5803
SMILES	CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	18-Acetoxyprostaglandin 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 450 ([M-H2O]+, 5), 408(5), 390(12), 372(16), 348(20), 330(100), 312(66), 298(18), 280(20). CarmelySet al.
UV Spectra
IR Spectra	ν neat max    3470,1740,1730,1715,1465,1435,1375,1260,1030, and 970cm-1 CarmelySet al.
NMR Spectra	1H-NMR(270MHz,CDCl3) δ ppm0.90(3H,t,J=7.2Hz),2.04(3H,s),2.31(2H,t,J=7.0Hz),2.38(1H,ddd,J=15.3,9.0,5.5Hz),2.55(1H,ddd,J=10.8,8.4,6.8Hz),3.67(3H,s),4.08(1H,dt,J=5.6,4.0Hz),4.17(1H,dd,J=5.5,3.5Hz),4.82(1H,q,J=5.3Hz),4.90(1H,ddd,J=9.0,6.8,4.0Hz),5.40(2H,m),5.54(2H,m. CarmelySet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207PG78 See above. Carmely_S et al. 1980