[(3aR,6Z,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-6-(piperidin-1-ylmethylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate

Systemtic Name: [(3aR,6Z,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-6-(piperidin-1-ylmethylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate Openeye Name: [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-(1-piperidylmethylene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate CAS Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-(1-piperidinylmethylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h][2]benzopyran-10-yl] ester IUPAC Name: [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-6-(piperidin-1-ylmethylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate Traditional Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-5-hydroxy-1,4,7-triketo-9-(methoxymethyl)-9a,11a-dimethyl-6-(piperidinomethylene)-2,3,3a,9,10,11-hexahydroinden[4,5-h]isochromen-10-yl] ester Formula: C28H35NO8 MolecularWeight: 513.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN5CCCCC5)C4=C(C3=O)O)COC)C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\N5CCCCC5)/C4=C(C3=O)O)COC)C)C

InChI

InChI=1S/C28H35NO8/c1-15(30)36-18-12-27(2)17(8-9-19(27)31)21-23(18)28(3)20(14-35-4)37-26(34)16(22(28)25(33)24(21)32)13-29-10-6-5-7-11-29/h13,17-18,20,33H,5-12,14H2,1-4H3/b16-13-/t17-,18+,20+,27-,28-/m0/s1