[(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxolan-2-yl]methyl dodecanoate

Systemtic Name: [(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxolan-2-yl]methyl dodecanoate Openeye Name: [(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl dodecanoate CAS Name: dodecanoic acid [(2R,3R,4S,5S)-3,4-bis(1-oxododecoxy)-5-(1-oxododecoxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S)-3,4-di(dodecanoyloxy)-5-(dodecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dodecanoate Traditional Name: lauric acid [(2R,3R,4S,5S)-3,4-dilauroyloxy-5-(lauroyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C60H110O15 MolecularWeight: 1071.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCC)OC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C60H110O15/c1-5-9-13-17-21-25-29-33-37-41-50(62)69-46-49-57(72-52(64)43-39-35-31-27-23-19-15-11-7-3)58(73-53(65)44-40-36-32-28-24-20-16-12-8-4)60(74-49,75-59-56(68)55(67)54(66)48(45-61)71-59)47-70-51(63)42-38-34-30-26-22-18-14-10-6-2/h48-49,54-59,61,66-68H,5-47H2,1-4H3/t48-,49-,54-,55+,56-,57-,58+,59-,60+/m1/s1