[(2R,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-octadecanoyloxy-3,4,5-tris(oxidanyl)-2-propoxy-oxan-4-yl] octadecanoate

Systemtic Name: [(2R,3S,4R,5S,6R)-6-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-octadecanoyloxy-3,4,5-tris(oxidanyl)-2-propoxy-oxan-4-yl] octadecanoate Openeye Name: [(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-3-octadecanoyloxy-2-propoxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-3-(1-oxooctadecoxy)-2-propoxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-3-octadecanoyloxy-2-propoxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] octadecanoate Traditional Name: stearic acid [(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-2-propoxy-3-stearoyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] ester Formula: C51H96O15 MolecularWeight: 949.29894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1(C(C(OC(C1(O)OC(=O)CCCCCCCCCCCCCCCCC)OCCC)COC2C(C(C(C(O2)CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@]1([C@H]([C@H](O[C@H]([C@]1(O)OC(=O)CCCCCCCCCCCCCCCCC)OCCC)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O

InChI

InChI=1S/C51H96O15/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(53)65-50(59)47(58)41(39-62-48-46(57)45(56)44(55)40(38-52)63-48)64-49(61-37-6-3)51(50,60)66-43(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h40-41,44-49,52,55-60H,4-39H2,1-3H3/t40-,41-,44+,45+,46-,47+,48+,49-,50-,51+/m1/s1