Cas no 121254-96-4 ((2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol)

(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol structure
121254-96-4 structure
Product Name:(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol
CAS No:121254-96-4
MF:C45H80O
MW:637.116114616394
CID:177537
PubChem ID:14380584
Update Time:2024-03-01

(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2,6,10,14,18,22-Hexatriacontahexaen-1-ol,3,7,11,15,19,23,27,31,35-nonamethyl-, (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-
    • glycinoprenol-9
    • 2,6,10,14,18,22,35-Hexatriacontaheptaen-1-ol,3,7,11,15,19,23,27,31,35-nonamethyl-, [R-[R*,R*-(Z,Z,Z,Z,Z,E)]]-
    • Glycinoprenol9
    • Glycinoprenol 9
    • (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hex
    • (2E,6E,10Z,14Z,18Z,22E)-3,7,11,15,19,23,27,31,35-NONAMETHYLHEXATRIACONTA-2,6,10,14,18,22-HEXAEN-1-OL
    • CHEBI:185274
    • 121254-96-4
    • DTXSID501109165
    • (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22-hexatriacontahexaen-1-ol
    • (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol
    • Inchi： 1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33-,45-35-/t38-,39-/m1/s1
    • InChI Key： FWVIPKAFIXXKIW-WKKMVYAVSA-N
    • SMILES： OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

Computed Properties

  • Exact Mass: 636.62091717g/mol
  • Monoisotopic Mass: 636.62091717g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 28
  • Complexity: 934
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • XLogP3: 17.5

(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol Related Literature

Related Categories

121254-96-4 ((2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol) Related Products

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