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2-[4-(3-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl}-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-butyl]-isoindole-1,3-dione
SpectraBase Compound ID 3GI7IVXLxZt
InChI InChI=1S/C42H41N3O10/c1-52-30-18-14-28(15-19-30)42(27-10-4-3-5-11-27,29-16-20-31(53-2)21-17-29)54-26-34-36(47)37(48)40(55-34)45-25-22-35(46)43(41(45)51)23-8-9-24-44-38(49)32-12-6-7-13-33(32)39(44)50/h3-7,10-22,25,34,36-37,40,47-48H,8-9,23-24,26H2,1-2H3/t34-,36-,37-,40-/m1/s1
InChIKey VUBMYUBCILNAPM-KPASRLDTSA-N
Mol Weight 747.8 g/mol
Molecular Formula C42H41N3O10
Exact Mass 747.279195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DPLPMlpFcm
Name 2-[4-(3-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl}-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-butyl]-isoindole-1,3-dione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H41N3O10
InChI InChI=1S/C42H41N3O10/c1-52-30-18-14-28(15-19-30)42(27-10-4-3-5-11-27,29-16-20-31(53-2)21-17-29)54-26-34-36(47)37(48)40(55-34)45-25-22-35(46)43(41(45)51)23-8-9-24-44-38(49)32-12-6-7-13-33(32)39(44)50/h3-7,10-22,25,34,36-37,40,47-48H,8-9,23-24,26H2,1-2H3/t34-,36-,37-,40-/m1/s1
InChIKey VUBMYUBCILNAPM-KPASRLDTSA-N
Instrument Name Shimadzu GC MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.c19
Molecular Weight 747.801 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C=CC(N(C1=O)CCCCN1C(c2c(C1=O)cccc2)=O)=O)[H])(COC(c1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1)[H])[H]
SPLASH splash10-053r-9812200000-b2af32f36c1022a81114
Source of Spectrum ARK-2006-171-7b
Wiley ID 1871174