[(5aR,6R,9R,9aS)-4-ethanoyl-1-methoxy-6-methyl-6-oxidanyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(5aR,6R,9R,9aS)-4-ethanoyl-1-methoxy-6-methyl-6-oxidanyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate Openeye Name: [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] ester IUPAC Name: [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] ester Formula: C26H32O7S MolecularWeight: 488.59308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C4C(CCC(C4OC3=C2C(=O)C)(C)O)C(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3[C@@H]4[C@H](CC[C@@]([C@@H]4OC3=C2C(=O)C)(C)O)C(C)C)OC

InChI

InChI=1S/C26H32O7S/c1-14(2)18-11-12-26(5,28)25-22(18)23-19(31-6)13-20(21(16(4)27)24(23)32-25)33-34(29,30)17-9-7-15(3)8-10-17/h7-10,13-14,18,22,25,28H,11-12H2,1-6H3/t18-,22+,25-,26-/m1/s1