Resolvin E2 - CAS 865532-70-3

Catalog:	BB057875
Product Name:	Resolvin E2
CAS:	865532-70-3
Synonyms:	(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-Dihydroxy-6,8,11,14,16-eicosapentaenoic Acid; (-)-Resolvin E2; (18R)-Resolvin E2

Technical Data

IUPAC Name:	(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoic acid
Description:	Resolvin E2 is a potent antiinflammatory compound derived from the omega-3 polyunsatrated fatty acid eicosapentaenoic acid (EPA). Resolvin E2 was shown to be biologically active in blocking neutrophil infiltration and reducing proinflammatory cytokines in the acute peritonitis model.
Molecular Weight:	334.45
Molecular Formula:	C20H30O4
Canonical SMILES:	CCC(C=CC=CCC=CCC=CC=CC(CCCC(=O)O)O)O
InChI:	InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1
InChI Key:	KPRHYAOSTOHNQA-NNQKPOSRSA-N
References:	Ogawa, S. et al. Org. Lett., 11, 3602 (2009); Oh, S.F. et al. J. Clin. Invest., 121, 569 (2011); Oh, S. et al. J. Immunol., 188, 4527 (2012).

Complexity:	458
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	5
Exact Mass:	334.21440943
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	334.21440943
Rotatable Bond Count:	13
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5