[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5-bis(16-methylheptadecanoyloxy)-4-oxidanyl-oxan-2-yl]methyl 16-methylheptadecanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5-bis(16-methylheptadecanoyloxy)-4-oxidanyl-oxan-2-yl]methyl 16-methylheptadecanoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-3,5-bis(16-methylheptadecanoyloxy)tetrahydropyran-2-yl]methyl 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(16-methyl-1-oxoheptadecoxy)methyl]-2-oxolanyl]oxy]-4-hydroxy-3,5-bis(16-methyl-1-oxoheptadecoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)oxolan-2-yl]oxy-4-hydroxy-3,5-bis(16-methylheptadecanoyloxy)oxan-2-yl]methyl 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-(16-methylheptadecanoyloxymethyl)-5-methylol-tetrahydrofuran-2-yl]oxy-4-hydroxy-3,5-bis(16-methylheptadecanoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C84H158O15 MolecularWeight: 1408.14432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C84H158O15/c1-68(2)57-49-41-33-25-17-9-13-21-29-37-45-53-61-74(86)93-66-73-80(96-76(88)63-55-47-39-31-23-15-11-19-27-35-43-51-59-70(5)6)79(91)81(97-77(89)64-56-48-40-32-24-16-12-20-28-36-44-52-60-71(7)8)83(95-73)99-84(82(92)78(90)72(65-85)98-84)67-94-75(87)62-54-46-38-30-22-14-10-18-26-34-42-50-58-69(3)4/h68-73,78-83,85,90-92H,9-67H2,1-8H3/t72-,73-,78-,79+,80-,81-,82+,83-,84+/m1/s1