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8-O-Benzyl-Dioncophylline A
SpectraBase Compound ID 5wY8Y2hgr82
InChI InChI=1S/C31H33NO3/c1-19-16-27(34-5)30-24(12-9-13-26(30)33-4)28(19)25-15-14-23-17-20(2)32-21(3)29(23)31(25)35-18-22-10-7-6-8-11-22/h6-16,20-21,32H,17-18H2,1-5H3/t20-,21-/m1/s1
InChIKey FHALVTUCNXEXPF-NHCUHLMSSA-N
Mol Weight 467.6 g/mol
Molecular Formula C31H33NO3
Exact Mass 467.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YBPWU11BH1
Name 8-O-Benzyl-Dioncophylline A
Alternate Name(s) (1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-8-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-8-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (1R,3R)-8-benzyloxy-7-(4,5-dimethoxy-2-methyl-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-8-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
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Formula C31H33NO3
InChI InChI=1S/C31H33NO3/c1-19-16-27(34-5)30-24(12-9-13-26(30)33-4)28(19)25-15-14-23-17-20(2)32-21(3)29(23)31(25)35-18-22-10-7-6-8-11-22/h6-16,20-21,32H,17-18H2,1-5H3/t20-,21-/m1/s1
InChIKey FHALVTUCNXEXPF-NHCUHLMSSA-N
Molecular Weight 467.609 g/mol
SMILES N1[C@@](Cc2ccc(c(c2[C@]1(C)[H])OCc1ccccc1)-c1c2c(c(OC)ccc2)c(cc1C)OC)(C)[H]
SPLASH splash10-0udi-0002900000-804564d40ab2abb33d95
Source of Spectrum G4-60-346-15
Wiley ID 1606658