methyl (2R,4aR,5S,8aS)-7-methanoyl-5-oxidanyl-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxine-8a-carboxylate

Systemtic Name: methyl (2R,4aR,5S,8aS)-7-methanoyl-5-oxidanyl-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxine-8a-carboxylate Openeye Name: methyl (2R,4aR,5S,8aS)-7-formyl-5-hydroxy-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxine-8a-carboxylate CAS Name: (2R,4aR,5S,8aS)-7-formyl-5-hydroxy-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxin-8a-carboxylic acid methyl ester IUPAC Name: methyl (2R,4aR,5S,8aS)-7-formyl-5-hydroxy-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxine-8a-carboxylate Traditional Name: (2R,4aR,5S,8aS)-7-formyl-5-hydroxy-2-phenyl-4,4a,5,8-tetrahydro-1,3-benzodioxin-8a-carboxylic acid methyl ester Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(=CC(C1COC(O2)C3=CC=CC=C3)O)C=O

Isomeric SMILES

COC(=O)[C@]12CC(=C[C@@H]([C@H]1CO[C@H](O2)C3=CC=CC=C3)O)C=O

InChI

InChI=1S/C17H18O6/c1-21-16(20)17-8-11(9-18)7-14(19)13(17)10-22-15(23-17)12-5-3-2-4-6-12/h2-7,9,13-15,19H,8,10H2,1H3/t13-,14+,15-,17+/m1/s1