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1-N-[(S)-4-AMINO-2-HYDROXYBUTANOYL]-6-O-[2-N-(3-PROPYLAMINO)-ETHYLAMINO]-NEAMINE
SpectraBase Compound ID Dgida0WbE57
InChI InChI=1S/C21H45N7O8/c22-3-1-5-27-6-7-34-19-11(28-20(33)12(29)2-4-23)8-10(25)18(17(19)32)36-21-14(26)16(31)15(30)13(9-24)35-21/h10-19,21,27,29-32H,1-9,22-26H2,(H,28,33)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,21+/m0/s1
InChIKey IOOQDMDPEUJNKK-BORACOTDSA-N
Mol Weight 523.6 g/mol
Molecular Formula C21H45N7O8
Exact Mass 523.332961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DniFaU8GJZi
Name 1-N-[(S)-4-AMINO-2-HYDROXYBUTANOYL]-6-O-[2-N-(3-PROPYLAMINO)-ETHYLAMINO]-NEAMINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H45N7O8
InChI InChI=1S/C21H45N7O8/c22-3-1-5-27-6-7-34-19-11(28-20(33)12(29)2-4-23)8-10(25)18(17(19)32)36-21-14(26)16(31)15(30)13(9-24)35-21/h10-19,21,27,29-32H,1-9,22-26H2,(H,28,33)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,21+/m0/s1
InChIKey IOOQDMDPEUJNKK-BORACOTDSA-N
Literature Reference Author J.HADDAD,L.P.KOTRA,B.LLANO-SOTELO,C.KIM,E.F.AZUCENA,M.LIU,S. B.VAKULENKO,C.S.CHOW
Literature Reference Citation J.AM.CHEM.SOC.,124,3229(2002)
Literature Reference DOI 10.1021/ja011695m
Molecular Weight 523.630 g/mol
Sample ID 33653
Solvent D2O