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RESORMYCIN;(2Z)-2-N-[2N-[(3S)-3,6-DIAMINOHEPTANOYL]-(2S)-3-HYDROXYVALYL]-AMINO-3-[4-CHLORO-3,5-DIHYDROXY)-PHENYLPROPENOIC-ACID;HCl-SALT

View entire compound with spectra: 1 NMR

RESORMYCIN;(2Z)-2-N-[2N-[(3S)-3,6-DIAMINOHEPTANOYL]-(2S)-3-HYDROXYVALYL]-AMINO-3-[4-CHLORO-3,5-DIHYDROXY)-PHENYLPROPENOIC-ACID;HCl-SALT
SpectraBase Compound ID 5FJJQb1lMOh
InChI InChI=1S/C21H31ClN4O7.ClH/c1-21(2,33)18(26-16(29)10-12(24)5-3-4-6-23)19(30)25-13(20(31)32)7-11-8-14(27)17(22)15(28)9-11;/h7-9,12,18,27-28,33H,3-6,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32);1H/b13-7-;
InChIKey NVVUHSUVOYMGDN-QCCGTXRUSA-N
Mol Weight 523.4 g/mol
Molecular Formula C21H32Cl2N4O7
Exact Mass 522.164805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7PQ8zRSUlE
Name RESORMYCIN;(2Z)-2-N-[2N-[(3S)-3,6-DIAMINOHEPTANOYL]-(2S)-3-HYDROXYVALYL]-AMINO-3-[4-CHLORO-3,5-DIHYDROXY)-PHENYLPROPENOIC-ACID;HCl-SALT
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32Cl2N4O7
InChI InChI=1S/C21H31ClN4O7.ClH/c1-21(2,33)18(26-16(29)10-12(24)5-3-4-6-23)19(30)25-13(20(31)32)7-11-8-14(27)17(22)15(28)9-11;/h7-9,12,18,27-28,33H,3-6,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32);1H/b13-7-;
InChIKey NVVUHSUVOYMGDN-QCCGTXRUSA-N
Literature Reference Author M.IGARASHI,H.NAKAMURA,H.NAGANAWA,T.TAKEUCHI
Literature Reference Citation J.ANTIBIOTICS,50,1026(1997)
Literature Reference DOI 10.7164/antibiotics.50.1026
Molecular Weight 523.414 g/mol
Solvent DMSO-D6
Source File Reference UWGE3004