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1-Isoquinolinemethanol, .alpha.-(2-bromo-4,5-dimethoxyphenyl)-7-methoxy-8-(phenylmethoxy)-, benzoate (ester), (.+-.)-
SpectraBase Compound ID 8swXSz4Xuju
InChI InChI=1S/C33H28BrNO6/c1-37-26-15-14-22-16-17-35-30(29(22)32(26)40-20-21-10-6-4-7-11-21)31(41-33(36)23-12-8-5-9-13-23)24-18-27(38-2)28(39-3)19-25(24)34/h4-19,31H,20H2,1-3H3
InChIKey OELZLSWWRLLPJA-UHFFFAOYSA-N
Mol Weight 614.5 g/mol
Molecular Formula C33H28BrNO6
Exact Mass 613.110001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uEq0Ur2G3W
Name 1-Isoquinolinemethanol, .alpha.-(2-bromo-4,5-dimethoxyphenyl)-7-methoxy-8-(phenylmethoxy)-, benzoate (ester), (.+-.)-
CAS Registry Number 112378-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28BrNO6
InChI InChI=1S/C33H28BrNO6/c1-37-26-15-14-22-16-17-35-30(29(22)32(26)40-20-21-10-6-4-7-11-21)31(41-33(36)23-12-8-5-9-13-23)24-18-27(38-2)28(39-3)19-25(24)34/h4-19,31H,20H2,1-3H3
InChIKey OELZLSWWRLLPJA-UHFFFAOYSA-N
Molecular Weight 614.492 g/mol
SMILES C(c1c2c(OCc3ccccc3)c(OC)ccc2ccn1)(c1c(cc(c(c1)OC)OC)Br)OC(=O)c1ccccc1
SPLASH splash10-052f-9800000000-977534d6b0aee15bb48c
Source of Spectrum Y-24-317-11
Synonyms 8-Benzyloxy-1-(2'-bromo-.alpha.-benzoyloxy-4',5'-dimethoxybenzyl)-7-methoxyisoquinoline benzoic acid[(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxy-1-isoquinolinyl)methyl]ester benzoic acid[(8-benzoxy-7-methoxy-1-isoquinolyl)-(2-bromo-4,5-dimethoxy-phenyl)methyl]ester [(2-bromanyl-4,5-dimethoxy-phenyl)-(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)methyl]benzoate [(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxyisoquinolin-1-yl)methyl]benzoate [(8-benzyloxy-7-methoxy-1-isoquinolyl)-(2-bromo-4,5-dimethoxy-phenyl)methyl]benzoate [8-(benzyloxy)-7-methoxy-1-isoquinolinyl](2-bromo-4,5-dimethoxyphenyl)methyl benzoate benzoic acid [(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxy-1-isoquinolinyl)methyl] ester [(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxyisoquinolin-1-yl)methyl] benzoate [(8-benzyloxy-7-methoxy-1-isoquinolyl)-(2-bromo-4,5-dimethoxy-phenyl)methyl] benzoate [(2-bromanyl-4,5-dimethoxy-phenyl)-(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)methyl] benzoate
Wiley ID 1411133