myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecen-1-yl)oxy]propyl hydrogen phosphate]

CAS Registry Number®

88587-95-5

CAS Name

myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecen-1-yl)oxy]propyl hydrogen phosphate]

Molecular Formula

C43H81O13P

Molecular Mass

837.07

Cite this Page

myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecen-1-yl)oxy]propyl hydrogen phosphate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88587-95-5 (retrieved 2024-12-22) (CAS RN: 88587-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)

InChIKey

InChIKey=PDLAMJKMOKWLAJ-UHFFFAOYSA-N

SMILES

O(P(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=CCCCCCCCC)=O)(=O)O)C1C(O)C(O)C(O)C(O)C1O

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC

Other Names for this Substance

  • myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecen-1-yl)oxy]propyl hydrogen phosphate]
  • myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z)-1-oxo-9-octadecenyl]oxy]propyl hydrogen phosphate]
  • DL-myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9-octadecenyl)oxy]propyl hydrogen phosphate], [R-(Z)]-

Deleted or Replaced CAS Registry Numbers

58958-02-4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.