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Technical details about Plurol Oleique, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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
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