[(3aS,4R,5S,6R,7R,7aR)-7-[tert-butyl(diphenyl)silyl]oxy-5,6-bis(phenylcarbonyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] benzoate

Systemtic Name: [(3aS,4R,5S,6R,7R,7aR)-7-[tert-butyl(diphenyl)silyl]oxy-5,6-bis(phenylcarbonyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] benzoate Openeye Name: [(3aS,4R,5S,6R,7R,7aR)-5,6-dibenzoyloxy-7-[tert-butyl(diphenyl)silyl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] benzoate CAS Name: benzoic acid [(3aS,4R,5S,6R,7R,7aR)-5,6-dibenzoyloxy-7-[tert-butyl(diphenyl)silyl]oxy-4-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]yl] ester IUPAC Name: [(3aS,4R,5S,6R,7R,7aR)-5,6-dibenzoyloxy-7-[tert-butyl(diphenyl)silyl]oxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] benzoate Traditional Name: benzoic acid [(3aS,4R,5S,6R,7R,7aR)-5,6-dibenzoyloxy-7-[tert-butyl(diphenyl)silyl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] ester Formula: C49H50O9Si MolecularWeight: 811.0014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3C4C(C(C(C3OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC8(O4)CCCCC8

Isomeric SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3[C@H]4[C@@H]([C@H]([C@@H]([C@H]3OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC8(O4)CCCCC8

InChI

InChI=1S/C49H50O9Si/c1-48(2,3)59(37-28-16-7-17-29-37,38-30-18-8-19-31-38)58-44-41(55-47(52)36-26-14-6-15-27-36)39(53-45(50)34-22-10-4-11-23-34)40(54-46(51)35-24-12-5-13-25-35)42-43(44)57-49(56-42)32-20-9-21-33-49/h4-8,10-19,22-31,39-44H,9,20-21,32-33H2,1-3H3/t39-,40-,41+,42+,43+,44-/m0/s1