[(2R,3S,4S,5S)-3-hexadecanoyloxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [(2R,3S,4S,5S)-3-hexadecanoyloxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-2-yl]methyl hexadecanoate Openeye Name: [(2R,3S,4S,5S)-3-hexadecanoyloxy-4-hydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecoxy)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S)-3-hexadecanoyloxy-4-hydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [(2R,3S,4S,5S)-3-hexadecanoyloxy-4-hydroxy-5-methylol-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C44H82O13 MolecularWeight: 819.11408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(47)53-32-35-41(55-37(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(52)44(33-46,56-35)57-43-40(51)39(50)38(49)34(31-45)54-43/h34-35,38-43,45-46,49-52H,3-33H2,1-2H3/t34-,35-,38-,39+,40-,41-,42+,43-,44+/m1/s1