(4S,9R)-7-bromanyl-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-9-oxidanyl-2,3,4,9-tetrahydroxanthen-1-one

Systemtic Name: (4S,9R)-7-bromanyl-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-9-oxidanyl-2,3,4,9-tetrahydroxanthen-1-one Openeye Name: (4S,9R)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-2,3,4,9-tetrahydroxanthen-1-one CAS Name: (4S,9R)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-2,3,4,9-tetrahydroxanthen-1-one IUPAC Name: (4S,9R)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-2,3,4,9-tetrahydroxanthen-1-one Traditional Name: (4S,9R)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-6-methyl-2,3,4,9-tetrahydroxanthen-1-one Formula: C19H23BrO7 MolecularWeight: 443.28572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C3=C(O2)C(CCC3=O)OCOCCOC)O)C(=C1Br)OC

Isomeric SMILES

CC1=CC2=C([C@H](C3=C(O2)[C@H](CCC3=O)OCOCCOC)O)C(=C1Br)OC

InChI

InChI=1S/C19H23BrO7/c1-10-8-13-15(19(24-3)16(10)20)17(22)14-11(21)4-5-12(18(14)27-13)26-9-25-7-6-23-2/h8,12,17,22H,4-7,9H2,1-3H3/t12-,17-/m0/s1