11,12-De(methylenedioxy)danuphylline

Catalog	BBC888482175
CAS	888482-17-5
Synonyms	(4aR,6aS,11bR,11cS)-1-Formyl-1,3,4,5,6,11c-hexahydro-13-oxo-4a,11b-propano-2H-pyrido[3,2-c]carbazole-6a,7-dicarboxylic acid dimethyl ester
IUPAC Name	dimethyl (1R,9S,12R,17S)-16-formyl-19-oxo-8,16-diazapentacyclo[10.5.3.01,9.02,7.012,17]icosa-2,4,6-triene-8,9-dicarboxylate
Molecular Weight	426.46
Molecular Formula	C23H26N2O6
Canonical SMILES	COC(=O)[C@]12CC[C@@]34CCCN([C@@H]3[C@@]1(CC(=O)C4)C5=CC=CC=C5N2C(=O)OC)C=O
InChI	InChI=1S/C23H26N2O6/c1-30-19(28)23-10-9-21-8-5-11-24(14-26)18(21)22(23,13-15(27)12-21)16-6-3-4-7-17(16)25(23)20(29)31-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,21+,22+,23+/m0/s1
InChI Key	OMANQXKGUWJXTD-JBJBFBLISA-N
Purity	98%
Appearance	Solid