LBF20307PG38

Upper classes

IDs and Links
LipidBank	XPR1901
LipidMaps	LMFA03010019
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20307PG38.mol

PROSTAGLANDIN J2
Structural Information
Systematic Name	7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Common Name	PROSTAGLANDIN J2
Symbol
Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	C(CC[C@@H](O)C=C[C@@H](C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility	ACETONITRILE<<1048>>CHLOROFORM, ETHANOL <<1049>>
Spectral Information
Mass Spectra	TMS ETHER ; M+ 478.2934 <<1049>>
UV Spectra	l MeOHmax = 305(e 1200), 216(e 9900)nm <<1049>>
IR Spectra	n 3400, 3200, 2660, 1710, 1085, 970 cm-1 <<1049>>
NMR Spectra	1H-NMR(CDCl3) : d 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) <<1049>>
Chromatograms