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6-Dimethoxydihydrothalibrunine

View entire compound with spectra: 1 MS (GC)

6-Dimethoxydihydrothalibrunine
SpectraBase Compound ID JOrINWHJTHA
InChI InChI=1S/C38H44N2O7/c1-39-13-11-24-17-36(45-5)34(42)21-29(24)31(39)15-23-7-9-26(10-8-23)47-38-18-25(33(41)22-37(38)46-6)16-32-30-19-27(43-3)20-35(44-4)28(30)12-14-40(32)2/h7-10,17-22,31-32,41-42H,11-16H2,1-6H3
InChIKey KWLZASOOHULEPY-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C38H44N2O7
Exact Mass 640.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTv5DD04d8V
Name 6-Dimethoxydihydrothalibrunine
Alternate Name(s) 1-(4-{5-[(5,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-4-hydroxy-2-methoxyphenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol
CAS Registry Number 72187-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44N2O7
InChI InChI=1S/C38H44N2O7/c1-39-13-11-24-17-36(45-5)34(42)21-29(24)31(39)15-23-7-9-26(10-8-23)47-38-18-25(33(41)22-37(38)46-6)16-32-30-19-27(43-3)20-35(44-4)28(30)12-14-40(32)2/h7-10,17-22,31-32,41-42H,11-16H2,1-6H3
InChIKey KWLZASOOHULEPY-UHFFFAOYSA-N
Molecular Weight 640.777 g/mol
SMILES Oc1c(cc2c(C(Cc3ccc(Oc4c(cc(c(c4)CC4c5c(c(OC)cc(c5)OC)CCN4C)O)OC)cc3)N(CC2)C)c1)OC
SPLASH splash10-052f-0950000000-3c7e116dc6cd944dbbee
Source of Spectrum J-45-212-0
Wiley ID 1412647