LBF20307PG06

Upper classes

IDs and Links
LipidBank	XPR1301
LipidMaps	LMFA03010004
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20307PG06.mol

PROSTAGLANDIN D2
Structural Information
Systematic Name	7- [ 5 (S) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -3-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
Common Name	PROSTAGLANDIN D2
Symbol
Formula	C20H32O5
Exact Mass	352.224974134
Average Mass	352.46508
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)CC
Physicochemical Information
Melting Point	68°C <<1010>>
Boiling Point
Density
Optical Rotation
Reflactive Index	[a]XD20=9° (C=2.11,THF) <<1012>>
Solubility	ETHYL ACETATE,THF,CHLOROFORM <<1012>>
Spectral Information
Mass Spectra	m/e 334, 316, 246, 245, 191, 190, 161, 55 <<1012>>
UV Spectra
IR Spectra	KBr : 3400-2500, 1740, 1700, 975cm-1 <<1010>>
NMR Spectra	1H-NMR(270MHz, CDCl3) : d 5.63(dd,J=7 & 16Hz,1H,14-CH), 5.43(dd,J=16 & 8.5Hz,1H,13-CH), 4.47(m, 1H, 9-CH), 4.09(bq, J=7Hz, 1H, 15-CH), 2.87(dd, J=12 & 8.5Hz, 1H, 12-CH), 2.45(m, 2H, 10-CH2), 1.95(bm, 1H, 8-CH) <<1011>>
Chromatograms