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2-Acetyl-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydro-7-isoquinolinol

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2-Acetyl-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydro-7-isoquinolinol
SpectraBase Compound ID AkpHxEMCxgh
InChI InChI=1S/C20H23NO5/c1-12(22)21-7-6-14-10-20(26-3)18(24)11-15(14)16(21)8-13-4-5-19(25-2)17(23)9-13/h4-5,9-11,16,23-24H,6-8H2,1-3H3
InChIKey PZBDCBBNLCGWKF-UHFFFAOYSA-N
Mol Weight 357.41 g/mol
Molecular Formula C20H23NO5
Exact Mass 357.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OCqjqg3eXi
Name 2-Acetyl-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydro-7-isoquinolinol
Comments Computed using HOSE algorithm
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Exact Mass 357.157622840 u
Formula C20H23NO5
InChI InChI=1S/C20H23NO5/c1-12(22)21-7-6-14-10-20(26-3)18(24)11-15(14)16(21)8-13-4-5-19(25-2)17(23)9-13/h4-5,9-11,16,23-24H,6-8H2,1-3H3
InChIKey PZBDCBBNLCGWKF-UHFFFAOYSA-N
Molecular Weight 357.406 g/mol
SMILES OC=1C(=CC2=C(C(CC3=CC=C(C(=C3)O)OC)N(CC2)C(C)=O)C1)OC