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Thalirugine

View entire compound with spectra: 1 MS (GC)

Thalirugine
SpectraBase Compound ID At1jca0vWuY
InChI InChI=1S/C38H44N2O7/c1-39-14-12-25-20-34(44-4)32(41)21-28(25)30(39)18-24-10-11-33(43-3)35(19-24)47-26-9-7-8-23(16-26)17-31-29-22-36(45-5)38(46-6)37(42)27(29)13-15-40(31)2/h7-11,16,19-22,30-31,41-42H,12-15,17-18H2,1-6H3/t30-,31-/m0/s1
InChIKey LLNHGKPRMKUALO-CONSDPRKSA-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 DDNHxKzLekE
Name Thalirugine
Alternate Name(s) 1-(4-{5-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-5-isoquinolinol
CAS Registry Number 64235-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44N2O7
InChI InChI=1S/C38H44N2O7/c1-39-14-12-25-20-34(44-4)32(41)21-28(25)30(39)18-24-10-11-33(43-3)35(19-24)47-26-9-7-8-23(16-26)17-31-29-22-36(45-5)38(46-6)37(42)27(29)13-15-40(31)2/h7-11,16,19-22,30-31,41-42H,12-15,17-18H2,1-6H3/t30-,31-/m0/s1
InChIKey LLNHGKPRMKUALO-CONSDPRKSA-N
Molecular Weight 640.777 g/mol
SMILES Oc1c2c([C@](Cc3cc(Oc4cc(C[C@]5(c6cc(c(cc6CCN5C)OC)O)[H])ccc4OC)ccc3)(N(CC2)C)[H])cc(c1OC)OC
SPLASH splash10-00dl-0590000000-96aceac36ed2e61a6a80
Source of Spectrum J-43-584-0
Wiley ID 1412648