[3-[[(1S,2R,3R,4S,5S,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[[(1S,2R,3R,4S,5S,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[[(1S,2R,3R,4S,5S,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[(1S,2R,3S,4S,5R,6R)-3,4-dihydroxy-5-(1-oxohexadecoxy)-2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(1-oxohexadecoxymethyl)-2-oxanyl]oxy]cyclohexyl]oxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[[(1S,2R,3R,4S,5S,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[[(1S,2R,3R,4S,5S,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C89H167O25P MolecularWeight: 1668.237041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(=O)CCCCCCCCCCCCCCC)O)O)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(=O)CCCCCCCCCCCCCCC)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H167O25P/c1-5-9-13-17-21-25-29-33-35-39-42-45-49-53-57-61-72(91)105-66-69(108-74(93)63-59-55-51-47-44-40-36-34-30-26-22-18-14-10-6-2)67-107-115(103,104)114-87-85(112-88-82(101)78(97)76(95)70(65-90)109-88)81(100)80(99)84(111-75(94)64-60-56-52-48-43-38-32-28-24-20-16-12-8-4)86(87)113-89-83(102)79(98)77(96)71(110-89)68-106-73(92)62-58-54-50-46-41-37-31-27-23-19-15-11-7-3/h69-71,76-90,95-102H,5-68H2,1-4H3,(H,103,104)/t69?,70-,71-,76-,77-,78+,79+,80+,81+,82+,83+,84-,85-,86-,87+,88-,89-/m1/s1