9-Octadecenoic acid, 12-hydroxy-, 2,2-bis[[(12-hydroxy-1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, [R-[R*,R*,R*,R*-(all-Z)]]-

CAS Registry Number®

126-56-7
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CAS Name

9-Octadecenoic acid, 12-hydroxy-, 2,2-bis[[(12-hydroxy-1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, [R-[R*,R*,R*,R*-(all-Z)]]-

Molecular Formula

C77H140O12

Molecular Mass

1257.93

Cite this Page

9-Octadecenoic acid, 12-hydroxy-, 2,2-bis[[(12-hydroxy-1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, [R-[R*,R*,R*,R*-(all-Z)]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126-56-7 (retrieved 2024-08-28) (CAS RN: 126-56-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C77H140O12/c1-5-9-13-41-53-69(78)57-45-33-25-17-21-29-37-49-61-73(82)86-65-77(66-87-74(83)62-50-38-30-22-18-26-34-46-58-70(79)54-42-14-10-6-2,67-88-75(84)63-51-39-31-23-19-27-35-47-59-71(80)55-43-15-11-7-3)68-89-76(85)64-52-40-32-24-20-28-36-48-60-72(81)56-44-16-12-8-4/h33-36,45-48,69-72,78-81H,5-32,37-44,49-68H2,1-4H3/b45-33-,46-34-,47-35-,48-36-/t69-,70-,71-,72-/m1/s1

InChIKey

InChIKey=HVVYFKFSOXILIY-CAQZLJARSA-N

SMILES

C(COC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)(COC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)(COC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O)COC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O

Canonical SMILES

O=C(OCC(COC(=O)CCCCCCCC=CCC(O)CCCCCC)(COC(=O)CCCCCCCC=CCC(O)CCCCCC)COC(=O)CCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC

Other Names for this Substance

  • 9-Octadecenoic acid, 12-hydroxy-, 2,2-bis[[(12-hydroxy-1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, [R-[R*,R*,R*,R*-(all-Z)]]-
  • Ricinoleic acid, neopentanetetrayl ester
  • Flexricin 19
  • Pentaerythritol tetraricinoleate