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2(1H)-Pyrimidinone, 1,1'-(2-methoxy-1,3-phenylene)bis[tetrahydro-3-[2-hydroxy-3-(hydroxym ethyl)-5-methylphenyl]-
SpectraBase Compound ID 6Wvl6EmdOlX
InChI InChI=1S/C31H36N4O7/c1-19-13-21(17-36)27(38)25(15-19)34-11-5-9-32(30(34)40)23-7-4-8-24(29(23)42-3)33-10-6-12-35(31(33)41)26-16-20(2)14-22(18-37)28(26)39/h4,7-8,13-16,36-39H,5-6,9-12,17-18H2,1-3H3
InChIKey GTZBTRFDONSLOB-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C31H36N4O7
Exact Mass 576.2584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FV2TUBwLr0
Name 2(1H)-Pyrimidinone, 1,1'-(2-methoxy-1,3-phenylene)bis[tetrahydro-3-[2-hydroxy-3-(hydroxym ethyl)-5-methylphenyl]-
CAS Registry Number 91110-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N4O7
InChI InChI=1S/C31H36N4O7/c1-19-13-21(17-36)27(38)25(15-19)34-11-5-9-32(30(34)40)23-7-4-8-24(29(23)42-3)33-10-6-12-35(31(33)41)26-16-20(2)14-22(18-37)28(26)39/h4,7-8,13-16,36-39H,5-6,9-12,17-18H2,1-3H3
InChIKey GTZBTRFDONSLOB-UHFFFAOYSA-N
Molecular Weight 576.650 g/mol
SMILES OCc1c(c(N2C(N(c3c(c(N4C(N(c5c(c(cc(c5)C)CO)O)CCC4)=O)ccc3)OC)CCC2)=O)cc(c1)C)O
SPLASH splash10-0a4l-9000000000-1eee0950880c98a917ca
Source of Spectrum C-106-4985-0
Synonyms 1,1'-(2-Methoxy-1,3-phenylene)bis(tetrahydro-3-(2-hydroxy-3-(hydroxymethyl)-5-methylphenyl)-2(1H)-pyrimidinone 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-3-[3-(3-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxotetrahydro-1(2H)-pyrimidinyl)-2-methoxyphenyl]tetrahydro-2(1H)-pyrimidinone
Wiley ID 1408206