9-bromanyl-1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 9-bromanyl-1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 9-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 9-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 9-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 9-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C21H23BrO6 MolecularWeight: 451.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)O

Isomeric SMILES

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)C)O)O

InChI

InChI=1S/C21H23BrO6/c1-10(2)7-14(23)12-5-6-16-17(20(12)26-4)21(25)27-9-13-18(22)11(3)8-15(24)19(13)28-16/h5-6,8,10,14,23-24H,7,9H2,1-4H3/t14-/m0/s1