Chem
J-GLOBAL ID:200907000484069298
Nikkaji number:J2.383.435I
5-Hydroxy-6′-methoxy-9-acetoxy-10-fluoro-10,11-dihydro-4,5:3,10-diseco-3,5:5,10-dicyclocinchonan
5-ヒドロキシ-6′-メトキシ-9-アセトキシ-10-フルオロ-10,11-ジヒドロ-4,5:3,10-ジセコ-3,5:5,10-ジシクロシンコナン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H27 FN2 O4
Molecular formula furigana:
C22-H27-F-N2-O4
Molecular weight:
402.466
InChI:
InChI=1S/C22H27FN2O4/c1-13(23)22(27)12-25-11-15(22)4-7-20(25)21(29-14(2)26)17-8-9-24-19-6-5-16(28-3)10-18(17)19/h5-6,8-10,13,15,20-21,27H,4,7,11-12H2,1-3H3/t13?,15?,20-,21?,22?/m1/s1
InChI key:
DLIVZPWONWZKPG-HLBCTZSSSA-N
SMILES:
COc1ccc2nccc(C(OC(=O)C)[C@H]3CCC4CN3CC4(O)C(C)F)c2c1
Systematic name (3):
5-ヒドロキシ-6′-メトキシ-9-アセトキシ-10-フルオロ-10,11-ジヒドロ-4,5:3,10-ジセコ-3,5:5,10-ジシクロシンコナン
[(2R)-6-(1-フルオロエチル)-6-ヒドロキシ-1-アザビシクロ[3.2.1]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル アセタート
[(2R)-6-(1-fluoroethyl)-6-hydroxy-1-azabicyclo[3.2.1]octan-2-yl](6-methoxyquinolin-4-yl)methyl acetate
Other name (1):
5-Hydroxy-6′-methoxy-9-acetoxy-10-fluoro-10,11-dihydro-4,5:3,10-diseco-3,5:5,10-dicyclocinchonan
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