tritert-butyl (1R,2S)-1-[(3R)-4-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-4-oxidanylidene-3-[(3R,5S)-2-oxidanylidene-5-[(1E,5Z)-tetradeca-1,5-dienyl]oxolan-3-yl]butanoyl]oxypropane-1,2,3-tricarboxylate

Systemtic Name: tritert-butyl (1R,2S)-1-[(3R)-4-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-4-oxidanylidene-3-[(3R,5S)-2-oxidanylidene-5-[(1E,5Z)-tetradeca-1,5-dienyl]oxolan-3-yl]butanoyl]oxypropane-1,2,3-tricarboxylate Openeye Name: tritert-butyl (1R,2S)-1-[(3R)-4-tert-butoxy-3-hydroxy-4-oxo-3-[(3R,5S)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dienyl]tetrahydrofuran-3-yl]butanoyl]oxypropane-1,2,3-tricarboxylate CAS Name: (1R,2S)-1-[(3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-3-[(3R,5S)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dienyl]-3-oxolanyl]butoxy]propane-1,2,3-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1R,2S)-1-[(3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(3R,5S)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dienyl]oxolan-3-yl]butanoyl]oxypropane-1,2,3-tricarboxylate Traditional Name: (1R,2S)-1-[(3R)-4-tert-butoxy-3-hydroxy-4-keto-3-[(3R,5S)-2-keto-5-[(1E,5Z)-tetradeca-1,5-dienyl]tetrahydrofuran-3-yl]butanoyl]oxypropane-1,2,3-tricarboxylic acid tritert-butyl ester Formula: C44H72O13 MolecularWeight: 809.03468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCC=CC1CC(C(=O)O1)C(CC(=O)OC(C(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCC/C=C\CC/C=C/[C@@H]1C[C@@H](C(=O)O1)[C@](CC(=O)O[C@H]([C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C44H72O13/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-30-27-32(37(48)52-30)44(51,39(50)57-43(11,12)13)29-34(46)53-35(38(49)56-42(8,9)10)31(36(47)55-41(5,6)7)28-33(45)54-40(2,3)4/h21-22,25-26,30-32,35,51H,14-20,23-24,27-29H2,1-13H3/b22-21-,26-25+/t30-,31+,32+,35-,44-/m1/s1