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(1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-keto-2-(2-ketoethyl)pentyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester
SpectraBase Compound ID 7RWyJbWrctK
InChI InChI=1S/C28H30N2O6/c1-35-28(34)30-14-11-23-22-9-5-6-10-24(22)29-26(23)25(30)17-20(12-15-31)21(13-16-32)18-36-27(33)19-7-3-2-4-8-19/h2-10,15-16,20-21,25,29H,11-14,17-18H2,1H3/t20-,21+,25-/m0/s1
InChIKey XVGSQDRYDLHIBK-BKSPAHHJSA-N
Mol Weight 490.56 g/mol
Molecular Formula C28H30N2O6
Exact Mass 490.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAs60q0vfC4
Name (1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-keto-2-(2-ketoethyl)pentyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester
Alternate Name(s) (1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-oxo-2-(2-oxoethyl)pentyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid methyl ester Methyl (1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-oxo-2-(2-oxoethyl)pentyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Methyl (1S)-1-[(2R,3S)-5-oxidanylidene-2-(2-oxidanylideneethyl)-3-(phenylcarbonyloxymethyl)pentyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
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Formula C28H30N2O6
InChI InChI=1S/C28H30N2O6/c1-35-28(34)30-14-11-23-22-9-5-6-10-24(22)29-26(23)25(30)17-20(12-15-31)21(13-16-32)18-36-27(33)19-7-3-2-4-8-19/h2-10,15-16,20-21,25,29H,11-14,17-18H2,1H3/t20-,21+,25-/m0/s1
InChIKey XVGSQDRYDLHIBK-BKSPAHHJSA-N
Molecular Weight 490.556 g/mol
SMILES [nH]1c2ccccc2c2CCN([C@](c12)(C[C@@]([C@@](COC(=O)c1ccccc1)(CC=O)[H])(CC=O)[H])[H])C(=O)OC
SPLASH splash10-004i-0091500000-93034e0f9406c9d6660d
Source of Spectrum J-60-2511-16
Wiley ID 1397264