(4S,4aR)-7-bromanyl-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one

Systemtic Name: (4S,4aR)-7-bromanyl-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one Openeye Name: (4S,4aR)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-3,4-dihydro-2H-xanthen-1-one CAS Name: (4S,4aR)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-3,4-dihydro-2H-xanthen-1-one IUPAC Name: (4S,4aR)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-3,4-dihydro-2H-xanthen-1-one Traditional Name: (4S,4aR)-7-bromo-9-hydroxy-8-methoxy-4-(2-methoxyethoxymethoxy)-4a,6-dimethyl-3,4-dihydro-2H-xanthen-1-one Formula: C20H25BrO7 MolecularWeight: 457.3123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C3C(=O)CCC(C3(O2)C)OCOCCOC)O)C(=C1Br)OC

Isomeric SMILES

CC1=CC2=C(C(=C3C(=O)CC[C@@H]([C@@]3(O2)C)OCOCCOC)O)C(=C1Br)OC

InChI

InChI=1S/C20H25BrO7/c1-11-9-13-15(19(25-4)17(11)21)18(23)16-12(22)5-6-14(20(16,2)28-13)27-10-26-8-7-24-3/h9,14,23H,5-8,10H2,1-4H3/t14-,20-/m0/s1