[(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-tris(oxidanyl)-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]cyclohexyl]oxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-tris(oxidanyl)-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]cyclohexyl]oxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy]cyclohexoxy]phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]cyclohexyl]oxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]cyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [(2R)-3-[methoxy-[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy]cyclohexoxy]phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C114H157O23P MolecularWeight: 1926.426341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OC)OC1C(C(C(C(C1OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)O)OC7C(C(C(C(O7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(OC)OC1[C@@H]([C@H](C([C@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C114H157O23P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-56-74-99(115)124-84-96(132-100(116)75-57-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)85-131-138(120,121-3)137-110-106(135-113-111(129-82-94-70-52-38-53-71-94)108(127-80-92-66-48-36-49-67-92)104(125-78-90-62-44-34-45-63-90)97(133-113)86-122-76-88-58-40-32-41-59-88)102(118)101(117)103(119)107(110)136-114-112(130-83-95-72-54-39-55-73-95)109(128-81-93-68-50-37-51-69-93)105(126-79-91-64-46-35-47-65-91)98(134-114)87-123-77-89-60-42-33-43-61-89/h32-55,58-73,96-98,101-114,117-119H,4-31,56-57,74-87H2,1-3H3/t96-,97-,98-,101?,102-,103+,104-,105-,106-,107-,108+,109+,110?,111+,112+,113-,114-,138+/m1/s1