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(5R)-5-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-6-[(1R)-1-phenylethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SpectraBase Compound ID EMkppo2eEKc
InChI InChI=1S/C27H27NO5/c1-17(18-6-4-3-5-7-18)28-11-10-19-13-24-25(32-15-31-24)14-21(19)22(28)12-20-8-9-23-27(26(20)29-2)33-16-30-23/h3-9,13-14,17,22H,10-12,15-16H2,1-2H3/t17-,22-/m1/s1
InChIKey AMRZPBKSCNLQMZ-VGOFRKELSA-N
Mol Weight 445.52 g/mol
Molecular Formula C27H27NO5
Exact Mass 445.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyvU6E1Ylwq
Name (5R)-5-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-6-[(1R)-1-phenylethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Alternate Name(s) (5R)-5-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-6-[(1R)-1-phenylethyl]-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline
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Formula C27H27NO5
InChI InChI=1S/C27H27NO5/c1-17(18-6-4-3-5-7-18)28-11-10-19-13-24-25(32-15-31-24)14-21(19)22(28)12-20-8-9-23-27(26(20)29-2)33-16-30-23/h3-9,13-14,17,22H,10-12,15-16H2,1-2H3/t17-,22-/m1/s1
InChIKey AMRZPBKSCNLQMZ-VGOFRKELSA-N
Molecular Weight 445.515 g/mol
SMILES [C@]1(N(CCc2cc3OCOc3cc12)[C@@](c1ccccc1)(C)[H])(Cc1c(c2OCOc2cc1)OC)[H]
SPLASH splash10-0560-0961000000-88bc12e11f62d6b36658
Source of Spectrum H1-43-1784-12
Wiley ID 757833