methyl (4S,4aR)-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-9-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate

Systemtic Name: methyl (4S,4aR)-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-9-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate Openeye Name: methyl (4S,4aR)-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate CAS Name: (4S,4aR)-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR)-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate Traditional Name: (4S,4aR)-9-hydroxy-1-keto-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester Formula: C21H26O9 MolecularWeight: 422.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OC)C(=C3C(=O)CCC(C3(O2)C(=O)OC)OCOCCOC)O

Isomeric SMILES

CC1=CC2=C(C(=C1)OC)C(=C3C(=O)CC[C@@H]([C@@]3(O2)C(=O)OC)OCOCCOC)O

InChI

InChI=1S/C21H26O9/c1-12-9-14(26-3)17-15(10-12)30-21(20(24)27-4)16(29-11-28-8-7-25-2)6-5-13(22)18(21)19(17)23/h9-10,16,23H,5-8,11H2,1-4H3/t16-,21-/m0/s1