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(+)-(3S,4S)-N-Benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-ethyl-1,2,3,4-tetraisoquinoline
SpectraBase Compound ID 9mpY17RsvhB
InChI InChI=1S/C28H33NO4/c1-6-22-23-16-27(33-5)26(32-4)15-21(23)18-29(17-19-10-8-7-9-11-19)28(22)20-12-13-24(30-2)25(14-20)31-3/h7-16,22,28H,6,17-18H2,1-5H3/t22-,28+/m0/s1
InChIKey PPPWXKFZSBOXFZ-RBISFHTESA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H33NO4
Exact Mass 447.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zFJ6FN85R2
Name (+)-(3S,4S)-N-Benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-ethyl-1,2,3,4-tetraisoquinoline
Alternate Name(s) (3S,4S)-3-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C28H33NO4
InChI InChI=1S/C28H33NO4/c1-6-22-23-16-27(33-5)26(32-4)15-21(23)18-29(17-19-10-8-7-9-11-19)28(22)20-12-13-24(30-2)25(14-20)31-3/h7-16,22,28H,6,17-18H2,1-5H3/t22-,28+/m0/s1
InChIKey PPPWXKFZSBOXFZ-RBISFHTESA-N
Molecular Weight 447.575 g/mol
SMILES [C@]1(N(Cc2c([C@@]1(CC)[H])cc(c(c2)OC)OC)Cc1ccccc1)(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0006-0900000000-7994473af58bbb05b8d4
Source of Spectrum J-64-4616-6
Wiley ID 1530447