methyl (3aR,7aS)-4-acetyloxy-3a-(3-methylbut-2-enyl)-2-oxidanylidene-3,6,7,7a-tetrahydro-1-benzofuran-5-carboxylate

Systemtic Name: methyl (3aR,7aS)-4-acetyloxy-3a-(3-methylbut-2-enyl)-2-oxidanylidene-3,6,7,7a-tetrahydro-1-benzofuran-5-carboxylate Openeye Name: methyl (3aR,7aS)-4-acetoxy-3a-(3-methylbut-2-enyl)-2-oxo-3,6,7,7a-tetrahydrobenzofuran-5-carboxylate CAS Name: (3aR,7aS)-4-acetyloxy-3a-(3-methylbut-2-enyl)-2-oxo-3,6,7,7a-tetrahydrobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aS)-4-acetyloxy-3a-(3-methylbut-2-enyl)-2-oxo-3,6,7,7a-tetrahydro-1-benzofuran-5-carboxylate Traditional Name: (3aR,7aS)-4-acetoxy-2-keto-3a-(3-methylbut-2-enyl)-3,6,7,7a-tetrahydrobenzofuran-5-carboxylic acid methyl ester Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC12CC(=O)OC1CCC(=C2OC(=O)C)C(=O)OC)C

Isomeric SMILES

CC(=CC[C@@]12CC(=O)O[C@H]1CCC(=C2OC(=O)C)C(=O)OC)C

InChI

InChI=1S/C17H22O6/c1-10(2)7-8-17-9-14(19)23-13(17)6-5-12(16(20)21-4)15(17)22-11(3)18/h7,13H,5-6,8-9H2,1-4H3/t13-,17+/m0/s1