Cas no 36781-76-7 (9-Octadecenoic acid,12-hydroxy-, 12-hydroxy-9-octadecenyl ester, [R-[R*,R*-(Z,Z)]]- (9CI))

9-Octadecenoic acid,12-hydroxy-, 12-hydroxy-9-octadecenyl ester, [R-[R*,R*-(Z,Z)]]- (9CI) structure
36781-76-7 structure
Product Name:9-Octadecenoic acid,12-hydroxy-, 12-hydroxy-9-octadecenyl ester, [R-[R*,R*-(Z,Z)]]- (9CI)
CAS No:36781-76-7
MF:C36H68O4
MW:564.92273235321
CID:307315
PubChem ID:20837959
Update Time:2025-04-19

9-Octadecenoic acid,12-hydroxy-, 12-hydroxy-9-octadecenyl ester, [R-[R*,R*-(Z,Z)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 9-Octadecenoic acid,12-hydroxy-, 12-hydroxy-9-octadecenyl ester, [R-[R*,R*-(Z,Z)]]- (9CI)
    • RICINOLEYL RICINOLEATE
    • (9Z,12R)-12-Hydroxy-9-octadecenoic acid (9Z,12R)-12-hydroxy-9-octadecenyl ester
    • (R)-12-Hydroxyoleic acid (9Z,12R)-12-hydroxy-9-octadecenyl ester
    • (R)-12-hydroxyoleyl (R)-12-hydroxyoleate
    • 36781-76-7
    • [(Z,12R)-12-hydroxyoctadec-9-enyl] (Z,12R)-12-hydroxyoctadec-9-enoate
    • NS00057970
    • DTXSID101125537
    • 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-12-hydroxy-9-octadecen-1-yl ester, (9Z,12R)-
    • Inchi: 1S/C36H68O4/c1-3-5-7-22-28-34(37)30-24-18-14-10-9-13-17-21-27-33-40-36(39)32-26-20-16-12-11-15-19-25-31-35(38)29-23-8-6-4-2/h18-19,24-25,34-35,37-38H,3-17,20-23,26-33H2,1-2H3/b24-18-,25-19-/t34-,35-/m1/s1
    • InChI Key: OGLXDMGSSDJNEC-TXJXGNCTSA-N
    • SMILES: O[C@@H](C/C=C\CCCCCCCCOC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)CCCCCC

Computed Properties

  • Exact Mass: 564.51200
  • Monoisotopic Mass: 564.51176065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 32
  • Complexity: 571
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 12.4
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76000
  • LogP: 10.54620
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