rac-2,2'-Di-(2-hydroxybenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline

SpectraBase Compound ID	242SnauPyCp
InChI	InChI=1S/C36H40N2O6/c1-41-31-17-23-13-15-37(21-25-9-5-7-11-29(25)39)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-38(36)22-26-10-6-8-12-30(26)40/h5-12,17-20,35-36,39-40H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey	CMGASFSKWSATMH-ZPGRZCPFSA-N Google Search
Mol Weight	596.7 g/mol
Molecular Formula	C36H40N2O6
Exact Mass	596.288637 g/mol

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SpectraBase Spectrum ID	2xrne26IM95
Name	rac-2,2'-di-(2-Hydroxybenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	596.288637010 u
Formula	C36H40N2O6
InChI	InChI=1S/C36H40N2O6/c1-41-31-17-23-13-15-37(21-25-9-5-7-11-29(25)39)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-38(36)22-26-10-6-8-12-30(26)40/h5-12,17-20,35-36,39-40H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey	CMGASFSKWSATMH-ZPGRZCPFSA-N
Molecular Weight	596.724 g/mol
SMILES	[C@@]1([C@]2(N(CC3=C(O)C=CC=C3)CCC3=C2C=C(C(OC)=C3)OC)[H])(N(CC=2C(O)=CC=CC2)CCC=2C1=CC(=C(OC)C2)OC)[H]