[(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-4a,6a,7,10b-tetramethyl-7-oxidanyl-2'-oxidanylidene-6-(phenylcarbonyloxy)spiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-8-yl] benzoate

Systemtic Name: [(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-4a,6a,7,10b-tetramethyl-7-oxidanyl-2'-oxidanylidene-6-(phenylcarbonyloxy)spiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-8-yl] benzoate Openeye Name: [(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetoxy-6-benzoyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxo-spiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-tetrahydrofuran]-8-yl] benzoate CAS Name: benzoic acid [(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-6-benzoyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxo-8-spiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f][1]benzopyran-3,4'-oxolane]yl] ester IUPAC Name: [(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-6-benzoyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-8-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetoxy-6-benzoyloxy-7-hydroxy-2'-keto-4a,6a,7,10b-tetramethyl-spiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-tetrahydrofuran]-8-yl] ester Formula: C36H42O10 MolecularWeight: 634.71268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(CC(=O)OC2)OC3(C1(C4CCC(C(C4(C(C3)OC(=O)C5=CC=CC=C5)C)(C)O)OC(=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC(=O)O[C@H]1C[C@]2(CC(=O)OC2)O[C@@]3([C@]1([C@H]4CC[C@H]([C@]([C@@]4([C@H](C3)OC(=O)C5=CC=CC=C5)C)(C)O)OC(=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C36H42O10/c1-22(37)43-28-19-36(20-29(38)42-21-36)46-32(2)18-27(45-31(40)24-14-10-7-11-15-24)34(4)25(33(28,32)3)16-17-26(35(34,5)41)44-30(39)23-12-8-6-9-13-23/h6-15,25-28,41H,16-21H2,1-5H3/t25-,26-,27+,28+,32+,33+,34+,35+,36-/m1/s1