(6aR,7R,12aR,12bS)-5,6a-bis(bromanyl)-7,11-dimethoxy-12b-(3-methylbutyl)-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxine-2,6-dione

Systemtic Name: (6aR,7R,12aR,12bS)-5,6a-bis(bromanyl)-7,11-dimethoxy-12b-(3-methylbutyl)-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxine-2,6-dione Openeye Name: (6aR,7R,12aR,12bS)-5,6a-dibromo-12b-isopentyl-7,11-dimethoxy-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxine-2,6-dione CAS Name: (6aR,7R,12aR,12bS)-5,6a-dibromo-7,11-dimethoxy-12b-(3-methylbutyl)-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxin-2,6-dione IUPAC Name: (6aR,7R,12aR,12bS)-5,6a-dibromo-7,11-dimethoxy-12b-(3-methylbutyl)-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxine-2,6-dione Traditional Name: (6aR,7R,12aR,12bS)-5,6a-dibromo-12b-isoamyl-7,11-dimethoxy-12,12a-dihydro-7H-naphtho[2,3-f][1,4]benzodioxin-2,6-quinone Formula: C23H26Br2O6 MolecularWeight: 558.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC12C3CC4=C(C=CC=C4OC)C(C3(C(=O)C(=C1OCC(=O)O2)Br)Br)OC

Isomeric SMILES

CC(C)CC[C@]12[C@H]3CC4=C(C=CC=C4OC)[C@H]([C@]3(C(=O)C(=C1OCC(=O)O2)Br)Br)OC

InChI

InChI=1S/C23H26Br2O6/c1-12(2)8-9-22-16-10-14-13(6-5-7-15(14)28-3)20(29-4)23(16,25)19(27)18(24)21(22)30-11-17(26)31-22/h5-7,12,16,20H,8-11H2,1-4H3/t16-,20-,22+,23+/m1/s1