[(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-3-butanoyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-10-oxidanyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate

Systemtic Name: [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-3-butanoyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-10-oxidanyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate Openeye Name: [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetoxy-3-butanoyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-3-(1-oxobutoxy)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester IUPAC Name: [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetyloxy-3-butanoyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(1R,3S,5S,6aR,7S,8S,10R,10aR)-1-acetoxy-3-butyryloxy-10-hydroxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenz[d]isobenzofuran-5-yl] ester Formula: C31H46O8 MolecularWeight: 546.69214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C2=CC(CC3C2(C(CC(C3(C)CCC(=C)C=C)C)O)C(O1)OC(=O)C)OC(=O)C(C)CC

Isomeric SMILES

CCCC(=O)O[C@H]1C2=C[C@H](C[C@H]3[C@@]2([C@@H](C[C@@H]([C@]3(C)CCC(=C)C=C)C)O)[C@H](O1)OC(=O)C)OC(=O)C(C)CC

InChI

InChI=1S/C31H46O8/c1-9-12-26(34)38-28-23-16-22(37-27(35)19(5)11-3)17-24-30(8,14-13-18(4)10-2)20(6)15-25(33)31(23,24)29(39-28)36-21(7)32/h10,16,19-20,22,24-25,28-29,33H,2,4,9,11-15,17H2,1,3,5-8H3/t19?,20-,22+,24+,25+,28+,29-,30-,31-/m0/s1