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(3R,4S,8R,9S,11Z)-9-Acetoxy-11-(3-oxopropylidene)-6'-methoxycinchonan
SpectraBase Compound ID 4xzXFp9tvoj
InChI InChI=1S/C25H28N2O4/c1-17(29)31-25(21-9-11-26-23-8-7-20(30-2)15-22(21)23)24-14-18-10-12-27(24)16-19(18)6-4-3-5-13-28/h3,6-9,11,13,15,18-19,24-25H,5,10,12,14,16H2,1-2H3/t4?,18?,19?,24-,25+/m1/s1
InChIKey JXJPRSZLZJXFLI-YOXACCDHSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzhMmp9tUq6
Name (3R,4S,8R,9S,11Z)-9-Acetoxy-11-(3-oxopropylidene)-6'-methoxycinchonan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-17(29)31-25(21-9-11-26-23-8-7-20(30-2)15-22(21)23)24-14-18-10-12-27(24)16-19(18)6-4-3-5-13-28/h3,6-9,11,13,15,18-19,24-25H,5,10,12,14,16H2,1-2H3/t4?,18?,19?,24-,25+/m1/s1
InChIKey JXJPRSZLZJXFLI-YOXACCDHSA-N
Molecular Weight 420.509 g/mol
SMILES [C@@]1(N2CCC(C1)C(C2)C=C=CCC=O)([C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H])[H]
SPLASH splash10-0006-4692000000-ce21d5933bdba785553b
Source of Spectrum K-2001-64-35
Synonyms (S)-(6-methoxyquinolin-4-yl)[(2R)-5-(5-oxopenta-1,2-dien-1-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl acetate
Wiley ID 1578321