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3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]amino]-6-keto-5-phosphonooxy-hexanoic acid
SpectraBase Compound ID LxGUtHwD8US
InChI InChI=1S/C20H29N2O11P/c1-9(2)6-12(14-7-10-4-3-5-13(23)16(10)20(28)32-14)22-19(27)18(33-34(29,30)31)17(26)11(21)8-15(24)25/h3-5,9,11-12,14,17-18,23,26H,6-8,21H2,1-2H3,(H,22,27)(H,24,25)(H2,29,30,31)
InChIKey NLUHYUXAIVNNFB-UHFFFAOYSA-N
Mol Weight 504.43 g/mol
Molecular Formula C20H29N2O11P
Exact Mass 504.150897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7AyYVcmRWx
Name 3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]amino]-6-keto-5-phosphonooxy-hexanoic acid
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27N2O11P
InChI InChI=1S/C20H29N2O11P/c1-9(2)6-12(14-7-10-4-3-5-13(23)16(10)20(28)32-14)22-19(27)18(33-34(29,30)31)17(26)11(21)8-15(24)25/h3-5,9,11-12,14,17-18,23,26H,6-8,21H2,1-2H3,(H,22,27)(H,24,25)(H2,29,30,31)
InChIKey NLUHYUXAIVNNFB-UHFFFAOYSA-N
Literature Reference Author M.HASHIMOTO,T.TAGUCHI,S.NISHIDA,K.UENO,K.KOIZUMI,M.ABURADA,K .ICHINOSE
Literature Reference Citation J.ANTIBIOTICS,60,752(2007)
Literature Reference DOI 10.1038/ja.2007.99
Molecular Weight 502.415 g/mol
Solvent CD3OD
Source File Reference UWDB1140