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2-[(1S,2S)-3-Acetoxy-2-(tert-butyloxycarbonylamino)-1-(methoxymethoxy)propyl]-3-formylindole

View entire compound with spectra: 1 MS (GC)

2-[(1S,2S)-3-Acetoxy-2-(tert-butyloxycarbonylamino)-1-(methoxymethoxy)propyl]-3-formylindole
SpectraBase Compound ID 2BE0SRwJiTw
InChI InChI=1S/C21H28N2O7/c1-13(25)28-11-17(23-20(26)30-21(2,3)4)19(29-12-27-5)18-15(10-24)14-8-6-7-9-16(14)22-18/h6-10,17,19,22H,11-12H2,1-5H3,(H,23,26)/t17-,19-/m0/s1
InChIKey ROGOQCWCHSJLDX-HKUYNNGSSA-N
Mol Weight 420.46 g/mol
Molecular Formula C21H28N2O7
Exact Mass 420.189651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqAKjhjN7tM
Name 2-[(1S,2S)-3-Acetoxy-2-(tert-butyloxycarbonylamino)-1-(methoxymethoxy)propyl]-3-formylindole
Alternate Name(s) (2S,3S)-2-[(tert-butoxycarbonyl)amino]-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)propyl acetate 2-[(1S,2S)-3-Acetoxy-2-(tert-butylcarbonylamino)-1-(methoxymethoxy)propyl]-3-formylindole Acetic acid[(2S,3S)-2-(tert-butoxycarbonylamino)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)propyl]ester Acetic acid[(2S,3S)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]ester [(2S,3S)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]acetate [(2S,3S)-3-(3-methanoyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]ethanoate Acetic acid [(2S,3S)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester [(2S,3S)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate [(2S,3S)-2-(tert-butoxycarbonylamino)-3-(3-formyl-1H-indol-2-yl)-3-(methoxymethoxy)propyl] acetate [(2S,3S)-3-(3-methanoyl-1H-indol-2-yl)-3-(methoxymethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate
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Formula C21H28N2O7
InChI InChI=1S/C21H28N2O7/c1-13(25)28-11-17(23-20(26)30-21(2,3)4)19(29-12-27-5)18-15(10-24)14-8-6-7-9-16(14)22-18/h6-10,17,19,22H,11-12H2,1-5H3,(H,23,26)/t17-,19-/m0/s1
InChIKey ROGOQCWCHSJLDX-HKUYNNGSSA-N
Molecular Weight 420.462 g/mol
SMILES [nH]1c2ccccc2c(c1[C@]([C@@](NC(OC(C)(C)C)=O)(COC(=O)C)[H])(OCOC)[H])C=O
SPLASH splash10-0592-9320000000-f8f29ad8720bc5b1eac7
Source of Spectrum E1-41-858-25
Wiley ID 1552071