[(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetyloxy-8a-(acetyloxymethyl)-3-tert-butyl-5-methyl-4a-oxidanyl-1-(phenylcarbonyloxy)-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl] benzoate

Systemtic Name: [(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetyloxy-8a-(acetyloxymethyl)-3-tert-butyl-5-methyl-4a-oxidanyl-1-(phenylcarbonyloxy)-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl] benzoate Openeye Name: [(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetoxy-8a-(acetoxymethyl)-1-benzoyloxy-3-tert-butyl-4a-hydroxy-5-methyl-decalin-2-yl] benzoate CAS Name: benzoic acid [(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetyloxy-8a-(acetyloxymethyl)-1-benzoyloxy-3-tert-butyl-4a-hydroxy-5-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl] ester IUPAC Name: [(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetyloxy-8a-(acetyloxymethyl)-1-benzoyloxy-3-tert-butyl-4a-hydroxy-5-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,3R,4R,4aS,5R,7S,8R,8aS)-4,7,8-triacetoxy-8a-(acetoxymethyl)-1-benzoyloxy-3-tert-butyl-4a-hydroxy-5-methyl-decalin-2-yl] ester Formula: C38H46O13 MolecularWeight: 710.76404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C2(C1(C(C(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(C)(C)C)OC(=O)C)O)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@@]1([C@@H]([C@@H]([C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(C)(C)C)OC(=O)C)O)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H46O13/c1-21-19-28(47-23(3)40)31(48-24(4)41)37(20-46-22(2)39)33(51-35(44)27-17-13-10-14-18-27)30(50-34(43)26-15-11-9-12-16-26)29(36(6,7)8)32(38(21,37)45)49-25(5)42/h9-18,21,28-33,45H,19-20H2,1-8H3/t21-,28+,29-,30+,31+,32-,33+,37+,38-/m1/s1