LBF20207PG01

Upper classes

IDs and Links
LipidBank	XPR1000
LipidMaps	LMFA03010005
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20207PG01.mol

PROSTAGLANDIN A1
Structural Information
Systematic Name	7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] heptanoic acid / (8R,12S,13E,15S) -15-Hydroxy-9-oxo-10,13-prostadienoic acid
Common Name	PROSTAGLANDIN A1
Symbol
Formula	C20H32O4
Exact Mass	336.23005951199997
Average Mass	336.46567999999996
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)C=CC(=O)1)CC
Physicochemical Information
Melting Point	42-44°C <<1005>>
Boiling Point
Density
Optical Rotation
Reflactive Index	ORD (H2O, C=0.0040g/ml) : 256(+35.000°), 220(-43.000°) <<1101>>
Solubility	ETHANOL, CHLOROFORM <<1005>>, METHANOL <<1101>>
Spectral Information
Mass Spectra	m/e, 336(M+), 318(M-18), 300(M-36), 265(M-71), 247, 219, 190 <<1005>>
UV Spectra	l EtOHmax = 217nm(e 11,650) <<1005>>
IR Spectra	NUJOL : n 3420, 2740, 2700, 2660, 2600, 1715, 1700, 1585, 1275, 1200,1180, 1020, 720cm-1 <<1005>>
NMR Spectra	1H-NMR(CDCl3, TMS) : d, 7.52(dd, 1H), 6.17(dd, 1H), 5.6(m, 2H), 4.1(m, 1H, 15-CH), 3.25(12H) <<1005>>
Chromatograms