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Methyl (3R,5R)-5-[[(benzyloxycarbonyl)amino]methyl]-N-(2,3:5,6-o-dicyclohexylidene-d-gulofuranosyl)isoxazolidine-3-carboxylate
SpectraBase Compound ID 1rLn77pdOcX
InChI InChI=1S/C32H44N2O10/c1-37-29(35)23-17-22(18-33-30(36)38-19-21-11-5-2-6-12-21)44-34(23)28-27-26(42-32(43-27)15-9-4-10-16-32)25(40-28)24-20-39-31(41-24)13-7-3-8-14-31/h2,5-6,11-12,22-28H,3-4,7-10,13-20H2,1H3,(H,33,36)/t22-,23-,24-,25-,26+,27-,28?/m1/s1
InChIKey ROWDEMFWCZGNPX-KAQFAZLKSA-N
Mol Weight 616.7 g/mol
Molecular Formula C32H44N2O10
Exact Mass 616.299596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hv22c7zkxx
Name Methyl (3R,5R)-5-[[(benzyloxycarbonyl)amino]methyl]-N-(2,3:5,6-o-dicyclohexylidene-d-gulofuranosyl)isoxazolidine-3-carboxylate
Alternate Name(s) Methyl (3R,5R)-2-[(3'aS,4'R,6'aR)-4'-[(2R)-1,4-dioxaspiro[4.5]decan-2-yl]-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 119680-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44N2O10
InChI InChI=1S/C32H44N2O10/c1-37-29(35)23-17-22(18-33-30(36)38-19-21-11-5-2-6-12-21)44-34(23)28-27-26(42-32(43-27)15-9-4-10-16-32)25(40-28)24-20-39-31(41-24)13-7-3-8-14-31/h2,5-6,11-12,22-28H,3-4,7-10,13-20H2,1H3,(H,33,36)/t22-,23-,24-,25-,26+,27-,28?/m1/s1
InChIKey ROWDEMFWCZGNPX-KAQFAZLKSA-N
Molecular Weight 616.708 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@]1(ON(C2[C@]3([C@@](OC4(O3)CCCCC4)([C@](O2)([C@@]2(OC3(CCCCC3)OC2)[H])[H])[H])[H])[C@@](C(=O)OC)(C1)[H])[H]
SPLASH splash10-0006-9423000000-bf6c618c3f16896998c7
Source of Spectrum J-54-2231-0
Wiley ID 1411311