tritert-butyl (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4-oxidanyl-1-(3-oxidanylidenepropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4-oxidanyl-1-(3-oxidanylidenepropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4-hydroxy-1-(3-oxopropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyl-1-oxooct-2-enoxy]-4-hydroxy-1-(3-oxopropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4-hydroxy-1-(3-oxopropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4-hydroxy-1-(3-ketopropyl)-7-triethylsilyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C40H68O13Si MolecularWeight: 785.04562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC=O)O[Si](CC)(CC)CC

Isomeric SMILES

CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC=O)O[Si](CC)(CC)CC

InChI

InChI=1S/C40H68O13Si/c1-16-26(5)25-27(6)21-22-28(42)47-30-29(52-54(17-2,18-3)19-4)38(23-20-24-41)48-31(32(43)49-35(7,8)9)39(46,33(44)50-36(10,11)12)40(30,53-38)34(45)51-37(13,14)15/h21-22,24,26-27,29-31,46H,16-20,23,25H2,1-15H3/b22-21+/t26-,27+,29+,30+,31+,38-,39+,40-/m0/s1