[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetyloxy-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-undecyl]oxolan-2-yl]oxolan-2-yl]-13-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]tridecyl] ethanoate

Systemtic Name: [(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetyloxy-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-undecyl]oxolan-2-yl]oxolan-2-yl]-13-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]tridecyl] ethanoate Openeye Name: [(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-undecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl] acetate CAS Name: acetic acid [(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetyloxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]undecyl]-2-oxolanyl]-2-oxolanyl]-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl] ester IUPAC Name: [(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetyloxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl] acetate Traditional Name: acetic acid [(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1-acetoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-undecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-13-[(2S)-5-keto-2-methyl-2H-furan-4-yl]tridecyl] ester Formula: C47H80O14 MolecularWeight: 869.1297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)OC(=O)C)OC(=O)C)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CCCCCC[C@@H](CCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C47H80O14/c1-5-6-7-17-21-35(58-47-45(53)44(52)43(51)42(30-48)61-47)22-19-24-37(57-33(4)50)39-26-28-41(60-39)40-27-25-38(59-40)36(56-32(3)49)23-18-15-13-11-9-8-10-12-14-16-20-34-29-31(2)55-46(34)54/h29,31,35-45,47-48,51-53H,5-28,30H2,1-4H3/t31-,35-,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,47+/m0/s1