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2(1H)-Pyrimidinone, 1,1'-(2-methoxy-1,3-phenylene)bis[tetrahydro-3-[3-(hydroxymethyl)-2-m ethoxy-5-methylphenyl]-
SpectraBase Compound ID LwJ7uE16pbd
InChI InChI=1S/C33H40N4O7/c1-21-15-23(19-38)29(42-3)27(17-21)36-13-7-11-34(32(36)40)25-9-6-10-26(31(25)44-5)35-12-8-14-37(33(35)41)28-18-22(2)16-24(20-39)30(28)43-4/h6,9-10,15-18,38-39H,7-8,11-14,19-20H2,1-5H3
InChIKey CCDVMXZPTKJCGJ-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C33H40N4O7
Exact Mass 604.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wbdTXD3rS6
Name 2(1H)-Pyrimidinone, 1,1'-(2-methoxy-1,3-phenylene)bis[tetrahydro-3-[3-(hydroxymethyl)-2-m ethoxy-5-methylphenyl]-
CAS Registry Number 91084-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40N4O7
InChI InChI=1S/C33H40N4O7/c1-21-15-23(19-38)29(42-3)27(17-21)36-13-7-11-34(32(36)40)25-9-6-10-26(31(25)44-5)35-12-8-14-37(33(35)41)28-18-22(2)16-24(20-39)30(28)43-4/h6,9-10,15-18,38-39H,7-8,11-14,19-20H2,1-5H3
InChIKey CCDVMXZPTKJCGJ-UHFFFAOYSA-N
Molecular Weight 604.704 g/mol
SMILES OCc1c(c(N2C(N(c3c(c(N4C(N(c5c(c(CO)cc(c5)C)OC)CCC4)=O)ccc3)OC)CCC2)=O)cc(c1)C)OC
SPLASH splash10-00di-0000090000-123021cc7d9a5ef10dcd
Source of Spectrum C-106-4986-0
Synonyms 1,1'-(2-Methoxy-1,3-phenylene)bis(tetrahydro-3-(2-methoxy-3-(hydroxymethyl)-5-methylphenyl)-2(1H)-pyrimidinone 1-[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]-3-[3-(3-[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]-2-oxotetrahydro-1(2H)-pyrimidinyl)-2-methoxyphenyl]tetrahydro-2(1H)-pyrimidinone
Wiley ID 1410464