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(1S,2S)-1-Acetoxy-8-benzyloxy-2-(tert-butyloxycarbonylamino)-6-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole

View entire compound with spectra: 1 MS (GC)

(1S,2S)-1-Acetoxy-8-benzyloxy-2-(tert-butyloxycarbonylamino)-6-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SpectraBase Compound ID 1OTLAKxc4OJ
InChI InChI=1S/C29H34N2O7/c1-18(32)37-26-22(30-28(33)38-29(2,3)4)16-31-23-13-20(27-34-11-8-12-35-27)14-25(21(23)15-24(26)31)36-17-19-9-6-5-7-10-19/h5-7,9-10,13-15,22,26-27H,8,11-12,16-17H2,1-4H3,(H,30,33)/t22-,26-/m0/s1
InChIKey AGWRQGMQWNWLHI-NVQXNPDNSA-N
Mol Weight 522.6 g/mol
Molecular Formula C29H34N2O7
Exact Mass 522.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tuAjky3Wyw
Name (1S,2S)-1-Acetoxy-8-benzyloxy-2-(tert-butyloxycarbonylamino)-6-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
Alternate Name(s) (1S,2S)-8-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-6-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl acetate Acetic acid[(2S,3S)-5-benzoxy-2-(tert-butoxycarbonylamino)-7-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]ester Acetic acid[(2S,3S)-7-(1,3-dioxan-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ester [(2S,3S)-5-benzyloxy-2-(tert-butoxycarbonylamino)-7-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate [(2S,3S)-7-(1,3-dioxan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate [(2S,3S)-7-(1,3-dioxan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanoate Acetic acid [(2S,3S)-7-(1,3-dioxan-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] ester [(2S,3S)-7-(1,3-dioxan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate [(2S,3S)-5-benzyloxy-2-(tert-butoxycarbonylamino)-7-(1,3-dioxan-2-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate [(2S,3S)-7-(1,3-dioxan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] ethanoate
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Formula C29H34N2O7
InChI InChI=1S/C29H34N2O7/c1-18(32)37-26-22(30-28(33)38-29(2,3)4)16-31-23-13-20(27-34-11-8-12-35-27)14-25(21(23)15-24(26)31)36-17-19-9-6-5-7-10-19/h5-7,9-10,13-15,22,26-27H,8,11-12,16-17H2,1-4H3,(H,30,33)/t22-,26-/m0/s1
InChIKey AGWRQGMQWNWLHI-NVQXNPDNSA-N
Molecular Weight 522.598 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]1(C[n]2c([C@]1(OC(=O)C)[H])cc1c2cc(C2OCCCO2)cc1OCc1ccccc1)[H]
SPLASH splash10-052f-9003110000-10c8085d669d97ab56cc
Source of Spectrum E1-43-46-31
Wiley ID 1552934