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object
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_id
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9sNMQtUPn5r
spectrumID
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9sNMQtUPn5r
cost
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specType
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262144
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WRX:98626:1
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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1-O-(N-ACETYL-L-PHENYLALANYL)-(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYOCTAHYDROINDOLIZINE;1-O-(N-ACETYL-L-PHENYLALANYL)-CASTANOSPERMINE
SpectraBase Compound ID GwS3buSUECk
InChI InChI=1S/C19H26N2O6/c1-11(22)20-13(9-12-5-3-2-4-6-12)19(26)27-15-7-8-21-10-14(23)17(24)18(25)16(15)21/h2-6,13-18,23-25H,7-10H2,1H3,(H,20,22)/t13?,14-,15-,16+,17+,18+/m0/s1
InChIKey AHMLVMWMDVSJGG-QCQLUSRNSA-N
Mol Weight 378.43 g/mol
Molecular Formula C19H26N2O6
Exact Mass 378.179087 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sNMQtUPn5r
Name 1-O-(N-ACETYL-L-PHENYLALANYL)-(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYOCTAHYDROINDOLIZINE;1-O-(N-ACETYL-L-PHENYLALANYL)-CASTANOSPERMINE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26N2O6
InChI InChI=1S/C19H26N2O6/c1-11(22)20-13(9-12-5-3-2-4-6-12)19(26)27-15-7-8-21-10-14(23)17(24)18(25)16(15)21/h2-6,13-18,23-25H,7-10H2,1H3,(H,20,22)/t13?,14-,15-,16+,17+,18+/m0/s1
InChIKey AHMLVMWMDVSJGG-QCQLUSRNSA-N
Literature Reference Author A.L.MARGOLIN,D.L.DELINCK,M.R.WHALON
Literature Reference Citation J.AM.CHEM.SOC.,112,2849(1990)
Literature Reference DOI 10.1021/ja00164a001
Molecular Weight 378.425 g/mol
Solvent DMSO-D6
Source File Reference UWRU6544
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