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2-[(2,4-dimethoxyphenyl)carbonyl]-1-(2-methoxyphenyl)-decahydroisoquinolin-4a-ol
SpectraBase Compound ID JTAiFpxQpoc
InChI InChI=1S/C25H31NO5/c1-29-17-11-12-19(22(16-17)31-3)24(27)26-15-14-25(28)13-7-6-9-20(25)23(26)18-8-4-5-10-21(18)30-2/h4-5,8,10-12,16,20,23,28H,6-7,9,13-15H2,1-3H3
InChIKey MLXKFNWZFUGHFM-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiU8HWWADYx
Name 2-[(2,4-dimethoxyphenyl)carbonyl]-1-(2-methoxyphenyl)-decahydroisoquinolin-4a-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO5
InChI InChI=1S/C25H31NO5/c1-29-17-11-12-19(22(16-17)31-3)24(27)26-15-14-25(28)13-7-6-9-20(25)23(26)18-8-4-5-10-21(18)30-2/h4-5,8,10-12,16,20,23,28H,6-7,9,13-15H2,1-3H3
InChIKey MLXKFNWZFUGHFM-UHFFFAOYSA-N
Molecular Weight 425.525 g/mol
SMILES OC12CCN(C(c3c(cc(cc3)OC)OC)=O)C(C2CCCC1)c1c(OC)cccc1
SPLASH splash10-014i-2910000000-02a135e4dd8e3d7919b4
Source of Spectrum IY-2-5207-4
Synonyms 4a(2H)-Isoquinolinol, 2-(2,4-dimethoxybenzoyl)octahydro-1-(2-methoxyphenyl)- (2,4-dimethoxyphenyl)-[1-(2-methoxyphenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]methanone
Wiley ID 1660057