11,12-De(methylenedioxy)danuphylline

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0267
CAS
888482-17-5
Product Name
11,12-De(methylenedioxy)danuphylline
Structure

Product Details

Description
11,12-De(methylenedioxy)danuphylline is isolated from the branch of Kopsia officinalis
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
426.5
Molecular Formula
C23H26N2O6
Canonical SMILES
COC(=O)C12CCC34CCCN(C3C1(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
InChIKey
OMANQXKGUWJXTD-JBJBFBLISA-N
Purity
>97%
Appearance
Cryst.
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