[(3aS,4R,6R,7S,7aS)-4-(methoxymethyl)-6-methyl-6-oxidanyl-3-oxidanylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] ethanoate

Systemtic Name: [(3aS,4R,6R,7S,7aS)-4-(methoxymethyl)-6-methyl-6-oxidanyl-3-oxidanylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] ethanoate Openeye Name: [(3aS,4R,6R,7S,7aS)-6-hydroxy-4-(methoxymethyl)-6-methyl-3-oxo-4,5,7,7a-tetrahydro-3aH-benzofuran-7-yl] acetate CAS Name: acetic acid [(3aS,4R,6R,7S,7aS)-6-hydroxy-4-(methoxymethyl)-6-methyl-3-oxo-4,5,7,7a-tetrahydro-3aH-benzofuran-7-yl] ester IUPAC Name: [(3aS,4R,6R,7S,7aS)-6-hydroxy-4-(methoxymethyl)-6-methyl-3-oxo-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] acetate Traditional Name: acetic acid [(3aS,4R,6R,7S,7aS)-6-hydroxy-3-keto-4-(methoxymethyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-benzofuran-7-yl] ester Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(C(CC1(C)O)COC)C(=O)CO2

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](C[C@@]1(C)O)COC)C(=O)CO2

InChI

InChI=1S/C13H20O6/c1-7(14)19-12-11-10(9(15)6-18-11)8(5-17-3)4-13(12,2)16/h8,10-12,16H,4-6H2,1-3H3/t8-,10+,11-,12-,13+/m0/s1