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4-(3-[((2E)-3-(4-[2-(4-Bromophenyl)-2-oxoethoxy]phenyl)-2-propenoyl)oxy]-4-methoxyphenyl)octahydro-2H-quinolizin-2-yl 4-bromobenzoate

View entire compound with spectra: 1 MS (GC)

4-(3-[((2E)-3-(4-[2-(4-Bromophenyl)-2-oxoethoxy]phenyl)-2-propenoyl)oxy]-4-methoxyphenyl)octahydro-2H-quinolizin-2-yl 4-bromobenzoate
SpectraBase Compound ID 4f05TZhj5p9
InChI InChI=1S/C40H37Br2NO7/c1-47-37-19-12-29(35-24-34(23-32-4-2-3-21-43(32)35)49-40(46)28-10-15-31(42)16-11-28)22-38(37)50-39(45)20-7-26-5-17-33(18-6-26)48-25-36(44)27-8-13-30(41)14-9-27/h5-20,22,32,34-35H,2-4,21,23-25H2,1H3/b20-7+
InChIKey AKYFSCLXCYMASY-IFRROFPPSA-N
Mol Weight 803.5 g/mol
Molecular Formula C40H37Br2NO7
Exact Mass 801.093679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BovZveXQ
Name 4-(3-[((2E)-3-(4-[2-(4-Bromophenyl)-2-oxoethoxy]phenyl)-2-propenoyl)oxy]-4-methoxyphenyl)octahydro-2H-quinolizin-2-yl 4-bromobenzoate
CAS Registry Number 66550-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H37Br2NO7
InChI InChI=1S/C40H37Br2NO7/c1-47-37-19-12-29(35-24-34(23-32-4-2-3-21-43(32)35)49-40(46)28-10-15-31(42)16-11-28)22-38(37)50-39(45)20-7-26-5-17-33(18-6-26)48-25-36(44)27-8-13-30(41)14-9-27/h5-20,22,32,34-35H,2-4,21,23-25H2,1H3/b20-7+
InChIKey AKYFSCLXCYMASY-IFRROFPPSA-N
Molecular Weight 803.544 g/mol
SMILES COc1c(OC(=O)\C=C\c2ccc(OCC(=O)c3ccc(Br)cc3)cc2)cc(cc1)C1CC(CC2CCCCN12)OC(=O)c1ccc(Br)cc1
SPLASH splash10-0pc0-1930100000-d75675d1938709d10abb
Source of Spectrum W5-1989-65008-528
Synonyms Rel-(2S,4S,10R)-2-(p-bromobenzoyloxy)-4-[3,4-(2-p-bromophenyl-2-oxo-ethyloxy)cinnamyloxy-4-methoxyphenyl]quinolizidine 4-Bromobenzoic acid [4-[3-[(E)-3-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]-1-oxoprop-2-enoxy]-4-methoxyphenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl] ester [4-[3-[(E)-3-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]prop-2-enoyl]oxy-4-methoxyphenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl] 4-bromobenzoate [4-[3-[(E)-3-[4-[2-(4-bromophenyl)-2-oxo-ethoxy]phenyl]prop-2-enoyl]oxy-4-methoxy-phenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl] 4-bromobenzoate [4-[3-[(E)-3-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoyl]oxy-4-methoxy-phenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl] 4-bromanylbenzoate
Wiley ID 1417184