[(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-bis(oxidanyl)-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3-oxidanyl-2-tetradecyl-octadecanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-bis(oxidanyl)-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3-oxidanyl-2-tetradecyl-octadecanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3-hydroxy-2-tetradecyl-octadecanoate CAS Name: 3-hydroxy-2-tetradecyloctadecanoic acid [(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate Traditional Name: 3-hydroxy-2-myristyl-stearic acid [(2R,3R,4S,5R,6R)-6-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C44H82O12 MolecularWeight: 803.11468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OCC1C(C(C(C(O1)OC2C(C(C3C(O2)CO3)O)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO3)O)O)O)O)O)O

InChI

InChI=1S/C44H82O12/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(45)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(51)53-30-34-36(46)37(47)39(49)43(54-34)56-44-40(50)38(48)41-35(55-44)31-52-41/h32-41,43-50H,3-31H2,1-2H3/t32?,33?,34-,35-,36+,37+,38-,39-,40-,41+,43-,44-/m1/s1