[(3S,4R,5R,7R,9R,11S,13S,15R,17R,19R)-5,7,9,11,13,15,17,19-octaacetyloxy-4-methyl-1,20-bis(oxidanylidene)icosan-3-yl] ethanoate

Systemtic Name: [(3S,4R,5R,7R,9R,11S,13S,15R,17R,19R)-5,7,9,11,13,15,17,19-octaacetyloxy-4-methyl-1,20-bis(oxidanylidene)icosan-3-yl] ethanoate Openeye Name: [(1S,2R,3R,5R,7R,9S,11S,13R,15R,17R)-3,5,7,9,11,13,15,17-octaacetoxy-2-methyl-18-oxo-1-(2-oxoethyl)octadecyl] acetate CAS Name: acetic acid [(3S,4R,5R,7R,9R,11S,13S,15R,17R,19R)-5,7,9,11,13,15,17,19-octaacetyloxy-4-methyl-1,20-dioxoeicosan-3-yl] ester IUPAC Name: [(3S,4R,5R,7R,9R,11S,13S,15R,17R,19R)-5,7,9,11,13,15,17,19-octaacetyloxy-4-methyl-1,20-dioxoicosan-3-yl] acetate Traditional Name: acetic acid [(1S,2R,3R,5R,7R,9S,11S,13R,15R,17R)-3,5,7,9,11,13,15,17-octaacetoxy-18-keto-1-(2-ketoethyl)-2-methyl-octadecyl] ester Formula: C39H58O20 MolecularWeight: 846.86582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=O)OC(=O)C)C(CC(CC(CC(CC(CC(CC(CC(C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]([C@H](CC=O)OC(=O)C)[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@H](C[C@H](C[C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H58O20/c1-21(38(11-12-40)58-29(9)49)39(59-30(10)50)19-36(56-27(7)47)17-34(54-25(5)45)15-32(52-23(3)43)13-31(51-22(2)42)14-33(53-24(4)44)16-35(55-26(6)46)18-37(20-41)57-28(8)48/h12,20-21,31-39H,11,13-19H2,1-10H3/t21-,31-,32-,33+,34+,35+,36+,37+,38-,39+/m0/s1