tritert-butyl (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-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)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-1-[3-[(1S,2R)-1-acetoxy-2-methyl-3-phenyl-propyl]but-3-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C43H68O13Si MolecularWeight: 821.07772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)O)O[Si](C)(C)C(C)(C)C)OC(=O)C

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)O)O[Si](C)(C)C(C)(C)C)OC(=O)C

InChI

InChI=1S/C43H68O13Si/c1-26(30(50-28(3)44)27(2)25-29-21-19-18-20-22-29)23-24-41-32(55-57(16,17)40(13,14)15)31(45)43(56-41,36(48)54-39(10,11)12)42(49,35(47)53-38(7,8)9)33(51-41)34(46)52-37(4,5)6/h18-22,27,30-33,45,49H,1,23-25H2,2-17H3/t27-,30-,31-,32-,33-,41+,42-,43+/m1/s1