5-[4-(2-hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	rB2Ne9K8Bu
InChI	InChI=1S/C33H36N4O6/c1-34-30(40)33(31(41)35(2)32(34)42,21-36-17-23-15-25(19-36)27-9-6-10-29(39)37(27)18-23)16-22-11-13-26(14-12-22)43-20-28(38)24-7-4-3-5-8-24/h3-14,23,25,28,38H,15-21H2,1-2H3
InChIKey	VOYKGCIIGXHHRT-UHFFFAOYSA-N Google Search
Mol Weight	584.7 g/mol
Molecular Formula	C33H36N4O6
Exact Mass	584.263485 g/mol

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SpectraBase Spectrum ID	AO6KC9Gy8ZP
Name	5-[4-(2-hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C33H36N4O6/c1-34-30(40)33(31(41)35(2)32(34)42,21-36-17-23-15-25(19-36)27-9-6-10-29(39)37(27)18-23)16-22-11-13-26(14-12-22)43-20-28(38)24-7-4-3-5-8-24/h3-14,23,25,28,38H,15-21H2,1-2H3
InChIKey	VOYKGCIIGXHHRT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_10625
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 135011; Labnumber: NC98SP32-1135; VK_ID: VK-010629
Synonyms	5-[4-(2-hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-{[6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C