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N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4'-tribenzoyl)-.beta.-D-ribopyranosyl]thiourea
SpectraBase Compound ID 439FRgcuRSt
InChI InChI=1S/C31H30N2O9S/c1-2-38-24(34)18-32-31(43)33-27-26(42-30(37)22-16-10-5-11-17-22)25(41-29(36)21-14-8-4-9-15-21)23(19-39-27)40-28(35)20-12-6-3-7-13-20/h3-17,23,25-27H,2,18-19H2,1H3,(H2,32,33,43)/t23-,25-,26-,27-/m1/s1
InChIKey HFWBQBZAGMTCBT-MIRJVGOZSA-N
Mol Weight 606.65 g/mol
Molecular Formula C31H30N2O9S
Exact Mass 606.167202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvbBHhxLyy9
Name N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4'-tribenzoyl)-.beta.-D-ribopyranosyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30N2O9S
InChI InChI=1S/C31H30N2O9S/c1-2-38-24(34)18-32-31(43)33-27-26(42-30(37)22-16-10-5-11-17-22)25(41-29(36)21-14-8-4-9-15-21)23(19-39-27)40-28(35)20-12-6-3-7-13-20/h3-17,23,25-27H,2,18-19H2,1H3,(H2,32,33,43)/t23-,25-,26-,27-/m1/s1
InChIKey HFWBQBZAGMTCBT-MIRJVGOZSA-N
Molecular Weight 606.646 g/mol
SMILES N([C@]1([C@@]([C@](OC(=O)c2ccccc2)([C@](OC(=O)c2ccccc2)(CO1)[H])[H])(OC(=O)c1ccccc1)[H])[H])C(=S)NCC(=O)OCC
SPLASH splash10-0a4j-1910400000-c424bd86b6a4a7cea20e
Source of Spectrum Y4-86-663-7
Synonyms 2,3,4-tri-C-benzoyl-N-{[(2-ethoxy-2-oxoethyl)amino]carbothioyl}-.beta.-D-ribopyranosylamine N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4'-O-tribenzoyl)-.beta.-D-ribopyranosyl]thiourea
Wiley ID 840429