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Methyl (3R,5R)-5-[[(benzyloxycarbonyl)-amino]methyl]-N-(2,3-o-cyclohexylidene-5-o-methyl-d-ribofuranosyl)isoxazolidine-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl (3R,5R)-5-[[(benzyloxycarbonyl)-amino]methyl]-N-(2,3-o-cyclohexylidene-5-o-methyl-d-ribofuranosyl)isoxazolidine-3-carboxylate
SpectraBase Compound ID ICtTvun52wW
InChI InChI=1S/C26H36N2O9/c1-31-16-20-21-22(36-26(35-21)11-7-4-8-12-26)23(34-20)28-19(24(29)32-2)13-18(37-28)14-27-25(30)33-15-17-9-5-3-6-10-17/h3,5-6,9-10,18-23H,4,7-8,11-16H2,1-2H3,(H,27,30)/t18-,19-,20-,21-,22-,23?/m1/s1
InChIKey PKTHKJAQCKYTTQ-QWXYXWEVSA-N
Mol Weight 520.6 g/mol
Molecular Formula C26H36N2O9
Exact Mass 520.242081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gMw2MJTKDF
Name Methyl (3R,5R)-5-[[(benzyloxycarbonyl)-amino]methyl]-N-(2,3-o-cyclohexylidene-5-o-methyl-d-ribofuranosyl)isoxazolidine-3-carboxylate
Alternate Name(s) Methyl (3R,5R)-2-[(3'aR,4'R,6'aR)-4'-(methoxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-yl]-5-({[(benzyloxy)carbonyl]amino}methyl)-1,2-oxazolidine-3-carboxylate
CAS Registry Number 119680-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O9
InChI InChI=1S/C26H36N2O9/c1-31-16-20-21-22(36-26(35-21)11-7-4-8-12-26)23(34-20)28-19(24(29)32-2)13-18(37-28)14-27-25(30)33-15-17-9-5-3-6-10-17/h3,5-6,9-10,18-23H,4,7-8,11-16H2,1-2H3,(H,27,30)/t18-,19-,20-,21-,22-,23?/m1/s1
InChIKey PKTHKJAQCKYTTQ-QWXYXWEVSA-N
Molecular Weight 520.579 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@]1(ON(C2[C@]3([C@](OC4(O3)CCCCC4)([C@](O2)(COC)[H])[H])[H])[C@@](C(=O)OC)(C1)[H])[H]
SPLASH splash10-00mo-9880000000-16b04fc9ccc0070e13f0
Source of Spectrum J-54-2231-24
Wiley ID 1401929