CAS 68860-46-8 | (5Z,9E,11R,12S,14Z)-8,11,12-TRIHYDROXYICOSA-5,9,14-TRIENOIC ACID | CAS Number 68860-46-8

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68860-46-8 | (5Z,9E,11R,12S,14Z)-8,11,12-TRIHYDROXYICOSA-5,9,14-TRIENOIC ACID

CAS No: 68860-46-8 Catalog No: AG006GHC MDL No:

Product Description

Catalog Number:

AG006GHC

Chemical Name:

(5Z,9E,11R,12S,14Z)-8,11,12-TRIHYDROXYICOSA-5,9,14-TRIENOIC ACID

CAS Number:

68860-46-8

Molecular Formula:

C20H34O5

Molecular Weight:

354.4810

IUPAC Name:

(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid

InChI:

InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1

InChI Key:

WPLPEZUSILBTGP-CIQDQOFUSA-N

SMILES:

CCCCC/C=C\C[C@@H]([C@@H](/C=C/C(C/C=C\CCCC(=O)O)O)O)O

Properties

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.241g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.487g/mol

Monoisotopic Mass:

354.241g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Vascular hepoxilin and trioxilins mediate vasorelaxation through TP receptor inhibition in mouse arteries.	Acta physiologica (Oxford, England) 20170101
Hepoxilins and trioxilins in barnacles: an analysis of their potential roles in egg hatching and larval settlement.	The Journal of experimental biology 20030901
Metabolism of 12-hydroperoxyeicosatetraenoic acid to vasodilatory trioxilin C3 by rabbit aorta.	Biochimica et biophysica acta 20030620