LBF23307PG03

Upper classes

IDs and Links
LipidBank	XPR8051
LipidMaps	LMFA03010097
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF23307PG03.mol

prostaglandin F_2alpha -11-acetate methyl ester<<8046>>
Structural Information
Systematic Name	methyl (5Z,13E) - (8R,9S,11R,12R,15S) -11-acetoxy-9,15-dihydroxyprost-5,13-dienoate
Common Name	prostaglandin F_2alpha -11-acetate methyl ester<<8046>>
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)<<8046>>
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra	CIMS m/z 411 ([M++1], 1), 392(7), 350(6), 332(98),314(100),288(2),282(15). <<8046>>
UV Spectra
IR Spectra	nKBr&max3700, 3610, 3510, 1740, 1730, and 970 cm-1<<8046>>
NMR Spectra	1H-NMR(270MHz,CDCl3)dppm0.88(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).<<8046>>
Chromatograms