(2S,10'R)-3',7-ditert-butyl-8'-chloranyl-10'-oxidanyl-10'-[(2R)-3-oxidanylidenebutan-2-yl]spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one

Systemtic Name: (2S,10'R)-3',7-ditert-butyl-8'-chloranyl-10'-oxidanyl-10'-[(2R)-3-oxidanylidenebutan-2-yl]spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one Openeye Name: (2S,10'R)-3',7-ditert-butyl-8'-chloro-10'-hydroxy-10'-[(1R)-1-methyl-2-oxo-propyl]spiro[1H-benzo[e]benzofuran-2,11'-benzo[a]xanthene]-9'-one CAS Name: (2S,10'R)-3',7-ditert-butyl-8'-chloro-10'-hydroxy-10'-[(2R)-3-oxobutan-2-yl]-9'-spiro[1H-benzo[e]benzofuran-2,11'-benzo[a]xanthene]one IUPAC Name: (2S,10'R)-3',7-ditert-butyl-8'-chloro-10'-hydroxy-10'-[(2R)-3-oxobutan-2-yl]spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one Traditional Name: (2S,10'R)-3',7-ditert-butyl-8'-chloro-10'-hydroxy-10'-[(1R)-2-keto-1-methyl-propyl]spiro[1H-benzo[e]benzofuran-2,11'-benzo[a]xanthene]-9'-one Formula: C40H39ClO5 MolecularWeight: 635.18766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)C1(C(=O)C(=C2C(=CC3=C(O2)C=CC4=C3C=CC(=C4)C(C)(C)C)C15CC6=C(O5)C=CC7=C6C=CC(=C7)C(C)(C)C)Cl)O

Isomeric SMILES

C[C@@H](C(=O)C)[C@@]1(C(=O)C(=C2C(=CC3=C(O2)C=CC4=C3C=CC(=C4)C(C)(C)C)[C@@]15CC6=C(O5)C=CC7=C6C=CC(=C7)C(C)(C)C)Cl)O

InChI

InChI=1S/C40H39ClO5/c1-21(22(2)42)40(44)36(43)34(41)35-31(19-29-27-13-11-25(37(3,4)5)17-23(27)9-15-32(29)45-35)39(40)20-30-28-14-12-26(38(6,7)8)18-24(28)10-16-33(30)46-39/h9-19,21,44H,20H2,1-8H3/t21-,39-,40-/m0/s1