LBF20307PG01

Upper classes

IDs and Links
LipidBank	XPR1001
LipidMaps	LMFA03010035
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20307PG01.mol

PROSTAGLANDIN A2
Structural Information
Systematic Name	7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Common Name	PROSTAGLANDIN A2
Symbol
Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index	[a]XD20=+140°(C=1.15, CHLOROFORM) <<1042>>
Solubility	ETHANOL, CHLOROFORM, METHANOL, DIETHYLETHER <<1005>>
Spectral Information
Mass Spectra	m/e 334(M+), 316, 190 <<1005>>
UV Spectra	EtOH: 217 nm (e 9900) <<1005>>
IR Spectra	NUJOL : n 3400, 1705, 1580, 1255, 1115, 1070, 1015 cm-1 <<1005>>
NMR Spectra	1H-NMR(CDCl3) : d 7.57(dd, 1H, 10-CH), 6.2(dd, 1H, 11-CH), 5.6(m, 2H, 13,14-CH), 5.4 (m, 2H, 5,6-CH), 4.12(1H, m, 12-CH), 3.23(m, 1H), 0.89(t, 3H, 0-CH3) <<1043>>. METHYL ESTER : 13C-NMR(CDCl3) 210.3, 174.0, 165.0, 135.2, 133.3, 131.0, 130.2, 126.7, 72.4, 52.1, 51.5, 49.6, 37.3, 33.5, 31.8, 27.4, 26.7, 25.1, 24.8, 22.6, 14.0 <<1044>>
Chromatograms