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1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2S/R)-1-amino-2-methyl-2-hydroxybutyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
SpectraBase Compound ID 5lBex6v2hYx
InChI InChI=1S/C26H31NO6/c1-4-25(3,29)22(26-31-14-24(2,15-32-26)16-33-26)27-23(28)30-13-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,21-22,29H,4,13-16H2,1-3H3,(H,27,28)/t22-,24?,25?,26?/m0/s1
InChIKey QTSZFRZBFTVZSL-CIOZQPGNSA-N
Mol Weight 453.54 g/mol
Molecular Formula C26H31NO6
Exact Mass 453.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjEajDXaEQc
Name 1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2S/R)-1-amino-2-methyl-2-hydroxybutyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
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Formula C26H31NO6
InChI InChI=1S/C26H31NO6/c1-4-25(3,29)22(26-31-14-24(2,15-32-26)16-33-26)27-23(28)30-13-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,21-22,29H,4,13-16H2,1-3H3,(H,27,28)/t22-,24?,25?,26?/m0/s1
InChIKey QTSZFRZBFTVZSL-CIOZQPGNSA-N
Molecular Weight 453.535 g/mol
SMILES N([C@@](C(O)(CC)C)(C12OCC(CO2)(C)CO1)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-0089-0008900000-4a93e12f155f506b3822
Source of Spectrum J-63-3645-36a
Wiley ID 1388526