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1-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-3-(3-chloro-propyl)-1H-pyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

1-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-3-(3-chloro-propyl)-1H-pyrimidine-2,4-dione
SpectraBase Compound ID 4FUH65Ly6Ff
InChI InChI=1S/C33H35ClN2O8/c1-41-25-13-9-23(10-14-25)33(22-7-4-3-5-8-22,24-11-15-26(42-2)16-12-24)43-21-27-29(38)30(39)31(44-27)36-20-17-28(37)35(32(36)40)19-6-18-34/h3-5,7-17,20,27,29-31,38-39H,6,18-19,21H2,1-2H3/t27-,29-,30-,31-/m1/s1
InChIKey WQBPOQQLFLLWDN-PMFUCWTESA-N
Mol Weight 623.1 g/mol
Molecular Formula C33H35ClN2O8
Exact Mass 622.208194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nqM9iXxXSz
Name 1-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-3-(3-chloro-propyl)-1H-pyrimidine-2,4-dione
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35ClN2O8
InChI InChI=1S/C33H35ClN2O8/c1-41-25-13-9-23(10-14-25)33(22-7-4-3-5-8-22,24-11-15-26(42-2)16-12-24)43-21-27-29(38)30(39)31(44-27)36-20-17-28(37)35(32(36)40)19-6-18-34/h3-5,7-17,20,27,29-31,38-39H,6,18-19,21H2,1-2H3/t27-,29-,30-,31-/m1/s1
InChIKey WQBPOQQLFLLWDN-PMFUCWTESA-N
Instrument Name Shimadzu GC MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.c19
Molecular Weight 623.102 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C=CC(N(C1=O)CCCCl)=O)[H])(COC(c1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1)[H])[H]
SPLASH splash10-0560-9121000000-9ae9f01df10ca328ebea
Source of Spectrum ARK-2006-170-7a
Wiley ID 1871173