(4aS,8R,8aR)-8a-bromanyl-8-(2,6-dimethoxy-4-oxidanyl-phenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-8-(2,6-dimethoxy-4-oxidanyl-phenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(4-hydroxy-2,6-dimethoxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(4-hydroxy-2,6-dimethoxyphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(4-hydroxy-2,6-dimethoxyphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(4-hydroxy-2,6-dimethoxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(C(C1=O)CC=C(C2C3=C(C=C(C=C3OC)O)OC)C=C)Br

Isomeric SMILES

CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=C(C=C(C=C3OC)O)OC)C=C)Br

InChI

InChI=1S/C21H21BrO5/c1-5-12-6-7-14-20(25)11(2)8-17(24)21(14,22)19(12)18-15(26-3)9-13(23)10-16(18)27-4/h5-6,8-10,14,19,23H,1,7H2,2-4H3/t14-,19+,21+/m0/s1