Cas no 111536-19-7 (2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI))

2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI) structure
111536-19-7 structure
Product Name:2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI)
CAS No:111536-19-7
MF:C37H46O3
MW:538.75935125351
CID:221170
Update Time:2024-03-01

2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI)
    • 2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethy
    • 2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(all-E)-
    • 2'-Apo-b,y-carotenal, 3',4'-didehydro-3-hydroxy-4-oxo-
    • Gelliodesxanthin
    • 2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal, 23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI)
    • 3',4'-Didehydro-3-hydroxy-4-oxo-2'-apo-beta,psi-carotenal
    • Inchi： 1S/C37H46O3/c1-28(17-11-19-30(3)20-12-21-31(4)23-14-26-38)15-9-10-16-29(2)18-13-22-32(5)24-25-34-33(6)36(40)35(39)27-37(34,7)8/h9-26,35,39H,27H2,1-8H3/b10-9+,17-11+,18-13+,20-12+,23-14+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+
    • InChI Key： VFPVMIPMYVASLR-TUCGVVRASA-N
    • SMILES： C(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)CC(O)C(=O)C=1C

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 40
  • XLogP3: 9.85000000000001

Experimental Properties

  • Density: 1.019±0.06 g/cm3(Predicted)
  • Boiling Point: 732.3±60.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.67±0.70(Predicted)

2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI) Related Literature

Related Categories

111536-19-7 (2,4,6,8,10,12,14,16,18,20,22-Tricosaundecaenal,23-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-4,8,12,17,21-pentamethyl-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)- (9CI)) Related Products

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