LBF20307PG05

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1201
LipidMaps	LMFA03010133
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20307PG05

PROSTAGLANDIN C2
Structural Information
Systematic Name	7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Common Name	PROSTAGLANDIN C2 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Symbol
Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	C(CC[C@@H](O)C=CC([C@H]1CC=CCCCC(O)=O)=CCC(=O)1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	METHANOL, CHLOROFORM Corey_EJ et al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER; m/e 348(M+), 330, 249, 245, 217, 215, 190, 133, 119, 109 Floyd_MB et al.
UV Spectra	l MeOHmax = 234 nm (e 17000) Corey_EJ et al.
IR Spectra	CHLOROFORM solution, n 1750,1715 cm-1 Corey_EJ et al.
NMR Spectra	METHYL ESTER ; d 6.3(d, J=16Hz, 1H, 13-CH), 6.1-5.95(m, 2H, 11-CH), 5,7(dd, J=6,16Hz, 1H, 14-CH), 5.7-5.1(m, 2H, 5,6-CH), 4.4-4.0(m, 1H, 15-CH), 3.69(S, 3H, OCH3), 3.3-3.0(m, 1H,8-CH), 3.0-2.8(m, 2H, 10-CH) Floyd_MB et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20307PG05 See above. Corey_EJ et al. 1974 n.a. LBF20307PG05 See above. Floyd_MB et al. 1980 n.a. LBF20307PG05 See above. Jones_RL et al. 1972 n.a. LBF20307PG05 See above. Polet_H et al. 1975