methyl (3R,4aS,7R,8R,8aS)-5',7'-bis(bromanyl)-4,4,7,8a-tetramethyl-3,4'-bis(oxidanyl)spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6'-carboxylate

Systemtic Name: methyl (3R,4aS,7R,8R,8aS)-5',7'-bis(bromanyl)-4,4,7,8a-tetramethyl-3,4'-bis(oxidanyl)spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6'-carboxylate Openeye Name: methyl (2R,2'R,4'aS,6'R,8'aS)-5,7-dibromo-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-spiro[3H-benzofuran-2,5'-decalin]-6-carboxylate CAS Name: (3R,4aS,7R,8R,8aS)-5',7'-dibromo-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-benzofuran]carboxylic acid methyl ester IUPAC Name: methyl (3R,4aS,7R,8R,8aS)-5',7'-dibromo-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6'-carboxylate Traditional Name: (2R,2'R,4'aS,6'R,8'aS)-5,7-dibromo-2',4-dihydroxy-1',1',4'a,6'-tetramethyl-spiro[coumaran-2,5'-decalin]-6-carboxylic acid methyl ester Formula: C23H30Br2O5 MolecularWeight: 546.2893

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C(CCC2(C13CC4=C(O3)C(=C(C(=C4O)Br)C(=O)OC)Br)C)O)(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(O3)C(=C(C(=C4O)Br)C(=O)OC)Br)(CC[C@H](C2(C)C)O)C

InChI

InChI=1S/C23H30Br2O5/c1-11-6-7-13-21(2,3)14(26)8-9-22(13,4)23(11)10-12-18(27)16(24)15(20(28)29-5)17(25)19(12)30-23/h11,13-14,26-27H,6-10H2,1-5H3/t11-,13+,14-,22+,23-/m1/s1