[2-dodecanoyloxy-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-propyl] pentadecanoate

Systemtic Name: [2-dodecanoyloxy-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-propyl] pentadecanoate Openeye Name: [3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-dodecanoyloxy-propyl] pentadecanoate CAS Name: pentadecanoic acid [3-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(1-oxododecoxy)propyl] ester IUPAC Name: [3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-dodecanoyloxypropyl] pentadecanoate Traditional Name: pentadecanoic acid [3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methylol-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-lauroyloxy-propyl] ester Formula: C42H78O15 MolecularWeight: 823.05972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C42H78O15/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-33(45)52-28-30(54-34(46)25-23-21-19-16-12-10-8-6-4-2)29-53-41-39(51)40(36(48)32(27-44)55-41)57-42-38(50)37(49)35(47)31(26-43)56-42/h30-32,35-44,47-51H,3-29H2,1-2H3/t30?,31-,32-,35-,36+,37+,38-,39-,40+,41-,42+/m1/s1