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1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2S)-1-amino-2-hydroxy-4-pentenyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
SpectraBase Compound ID EoEuJOQOfqb
InChI InChI=1S/C26H29NO6/c1-3-8-22(28)23(26-31-14-25(2,15-32-26)16-33-26)27-24(29)30-13-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h3-7,9-12,21-23,28H,1,8,13-16H2,2H3,(H,27,29)/t22-,23-,25?,26?/m0/s1
InChIKey DIZCLEOKRMSJOI-ANBAMDCGSA-N
Mol Weight 451.52 g/mol
Molecular Formula C26H29NO6
Exact Mass 451.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TZk2cvjBEe
Name 1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2S)-1-amino-2-hydroxy-4-pentenyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Comments Less than 3 mono-isotopic peaks
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Formula C26H29NO6
InChI InChI=1S/C26H29NO6/c1-3-8-22(28)23(26-31-14-25(2,15-32-26)16-33-26)27-24(29)30-13-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h3-7,9-12,21-23,28H,1,8,13-16H2,2H3,(H,27,29)/t22-,23-,25?,26?/m0/s1
InChIKey DIZCLEOKRMSJOI-ANBAMDCGSA-N
Molecular Weight 451.519 g/mol
SMILES N([C@@]([C@@](O)(CC=C)[H])(C12OCC(CO2)(C)CO1)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-001i-0009000000-fb6e5190414c0a2cc59c
Source of Spectrum J-63-3643-31
Synonyms 9H-fluoren-9-ylmethyl (1S,2S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-4-pentenylcarbamate 9H-fluoren-9-ylmethyl N-[(1S,2S)-2-hydroxy-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pent-4-enyl]carbamate 9H-fluoren-9-ylmethyl N-[(1S,2S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanyl-pent-4-enyl]carbamate
Wiley ID 1387986