Cas no 219535-29-2 (5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)-)

5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)- structure
219535-29-2 structure
Product Name:5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)-
CAS No:219535-29-2
MF:C20H32O4
MW:336.465686798096
CID:243643
PubChem ID:11954058
Update Time:2025-04-19

5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)- Chemical and Physical Properties

Names and Identifiers

    • 5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)-
    • 5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyloxiranyl)-, (5Z,8Z,12E)- (9CI)
    • 11-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid
    • 11-hydroxy-14,15-epoxy-5Z,8Z,12E-eicosatrienoate
    • (5Z,8Z,12E)-11-HYDROXY-13-(3-PENTYLOXIRAN-2-YL)TRIDECA-5,8,12-TRIENOIC ACID
    • (5Z,8Z,12E)-14,15-Epoxy-11-hydroxyicosa-5,8,12-trienoic acid
    • (5Z,8Z,12E)-14,15-Epoxy-11-hydroxyicosa-5,8,12-trienoate
    • 11-Hydroxy-14,15-EETA
    • Q27115839
    • (5Z,8Z,12E)-14,15-Epoxy-11-hydroxyeicosa-5,8,12-trienoate
    • 11-hydroxy-14,15-epoxy-5Z,8Z,12E-eicosatrienoic acid
    • 219535-29-2
    • CHEBI:34137
    • 11-Hydroxy-14,15-epoxyeicosatrienoic acid
    • LMFA03080008
    • 11H-14,15-EETA
    • 14,15-Ep-11-HETrE
    • (5Z,8Z,12E)-14,15-Epoxy-11-hydroxyeicosa-5,8,12-trienoic acid
    • 11-Hydroxy-14,15-epoxyeicosatrienoate
    • Inchi： 1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+
    • InChI Key： WLMZMBKVRPUYIG-LTCHCNGXSA-N
    • SMILES： O1C(/C=C/C(C/C=C\C/C=C\CCCC(=O)O)O)C1CCCCC

Computed Properties

  • Exact Mass: 336.23016
  • Monoisotopic Mass: 336.23
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 14
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 3
  • Topological Polar Surface Area: 70.1A^2
  • XLogP3: 4

Experimental Properties

  • PSA: 70.06

5,8,12-Tridecatrienoicacid, 11-hydroxy-13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,12E)- Related Literature

Related Categories

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