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    Plurol Oleique

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 20Xls

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    2D Structure
    Also known as: Polyglycerol oleate, Plurol oleique, Hexaglyceryl oleate, Demal 14, Decaglyceryl monooleate, Polyglycerol monooleate
    Molecular Formula
    C48H94O22
    Molecular Weight
    1023.2  g/mol
    InChI Key
    NPTLAYTZMHJJDP-KTKRTIGZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] (Z)-octadec-9-enoate
    2.1.2 InChI
    InChI=1S/C48H94O22/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-48(60)70-37-47(59)36-69-35-46(58)34-68-33-45(57)32-67-31-44(56)30-66-29-43(55)28-65-27-42(54)26-64-25-41(53)24-63-23-40(52)22-62-21-39(51)20-61-19-38(50)18-49/h9-10,38-47,49-59H,2-8,11-37H2,1H3/b10-9-
    2.1.3 InChI Key
    NPTLAYTZMHJJDP-KTKRTIGZSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Polyglycerol Oleate

    2. Plurol Oleique

    3. Hexaglyceryl Oleate

    4. Demal 14

    5. Decaglyceryl Monooleate

    6. Polyglycerol Monooleate

    7. Oleic Acid Polyglyceride

    8. Unii-sz1t9d7zkx

    9. Sz1t9d7zkx

    10. Unii-15b05ty4gx

    11. Emcol 12-14-18

    12. Unii-55c81w76dh

    13. 15b05ty4gx

    14. 1,2,3-propanetriol, Homopolymer, (9z)-9-octadecenoate

    15. Polyglycerol Ester Of Oleic Acid

    16. 55c81w76dh

    17. 9-octadecenoic Acid, Monoester With Triglycerol

    18. 9-octadecenoic Acid, Monoester With Decaglycerol

    19. 9-octadecenoic Acid, Monoester With Hexaglycerol

    20. Q27261303

    21. 1,2,3-propanetriol, Homopolymer, (z)-9-octadecenoate

    22. Oleic Acid, Ester With 1,2,3-propanetriol Homopolymer (1:1)

    23. 9-octadecenoic Acid, Monoester With 3,3'-((2-hydroxy-1,3-propanediyl)bis(oxy)bis(1,2-propanediol)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 1023.2 g/mol
    Molecular Formula C48H94O22
    XLogP3-0.6
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count55
    Exact Mass1022.62367462 g/mol
    Monoisotopic Mass1022.62367462 g/mol
    Topological Polar Surface Area332 Ų
    Heavy Atom Count70
    Formal Charge0
    Complexity1140
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count10
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1