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D-epi-4-Inosose, 2,5-anhydro-1-deoxy-1-[[(1,1-dimethylethoxy)carbonyl]amino]-6-O-(phenylmethyl)-, 3-(3-chlorobenzoate)
SpectraBase Compound ID 36iPUD8L1N9
InChI InChI=1S/C25H26ClNO7/c1-25(2,3)34-24(30)27-17-19(31-13-14-8-5-4-6-9-14)21-18(28)22(20(17)32-21)33-23(29)15-10-7-11-16(26)12-15/h4-12,17,19-22H,13H2,1-3H3,(H,27,30)/t17-,19-,20-,21-,22+/m0/s1
InChIKey QGLKXOPUTABAOJ-JFZIVLOISA-N
Mol Weight 487.94 g/mol
Molecular Formula C25H26ClNO7
Exact Mass 487.13978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ly0GIiwPTz
Name D-epi-4-Inosose, 2,5-anhydro-1-deoxy-1-[[(1,1-dimethylethoxy)carbonyl]amino]-6-O-(phenylmethyl)-, 3-(3-chlorobenzoate)
CAS Registry Number 126372-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26ClNO7
InChI InChI=1S/C25H26ClNO7/c1-25(2,3)34-24(30)27-17-19(31-13-14-8-5-4-6-9-14)21-18(28)22(20(17)32-21)33-23(29)15-10-7-11-16(26)12-15/h4-12,17,19-22H,13H2,1-3H3,(H,27,30)/t17-,19-,20-,21-,22+/m0/s1
InChIKey QGLKXOPUTABAOJ-JFZIVLOISA-N
Molecular Weight 487.936 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1([C@]2([C@@](C(=O)[C@@](O2)([H])[C@]1(OCc1ccccc1)[H])(OC(c1cc(Cl)ccc1)=O)[H])[H])[H]
SPLASH splash10-052f-9300000000-6b5f5c94f7e41f20b1ee
Source of Spectrum H-72-889-0
Synonyms (1R,2S,4R,5S,6S)-5-(benzyloxy)-6-[(tert-butoxycarbonyl)amino]-3-oxo-7-oxabicyclo[2.2.1]hept-2-yl 3-chlorobenzoate (1S,2S,4R,5S,6S)-5-endo-(benzyloxy)-6-exo-[(t-butoxy)carbonylamino]-3-oxo-7-oxabicyclo[2.2.1]hept-2-exo-yl 3-chlorobenzoate 7-Oxabicyclo[2.2.1]heptane, D-epi-4-inosose deriv.
Wiley ID 1396692