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[3,5-diamino-2-hydroxy-1-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]carbamoyl]-5-keto-pentyl] dihydrogen phosphate

View entire compound with spectra: 2 NMR

[3,5-diamino-2-hydroxy-1-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]carbamoyl]-5-keto-pentyl] dihydrogen phosphate
SpectraBase Compound ID 1GxMlYUVYJC
InChI InChI=1S/C20H30N3O10P/c1-9(2)6-12(14-7-10-4-3-5-13(24)16(10)20(28)32-14)23-19(27)18(33-34(29,30)31)17(26)11(21)8-15(22)25/h3-5,9,11-12,14,17-18,24,26H,6-8,21H2,1-2H3,(H2,22,25)(H,23,27)(H2,29,30,31)
InChIKey HOJHDNFGPGIISV-UHFFFAOYSA-N
Mol Weight 503.44 g/mol
Molecular Formula C20H30N3O10P
Exact Mass 503.166881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYCg8Z6L35O
Name [3,5-diamino-2-hydroxy-1-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]carbamoyl]-5-keto-pentyl] dihydrogen phosphate
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N3O10P
InChI InChI=1S/C20H30N3O10P/c1-9(2)6-12(14-7-10-4-3-5-13(24)16(10)20(28)32-14)23-19(27)18(33-34(29,30)31)17(26)11(21)8-15(22)25/h3-5,9,11-12,14,17-18,24,26H,6-8,21H2,1-2H3,(H2,22,25)(H,23,27)(H2,29,30,31)
InChIKey HOJHDNFGPGIISV-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 501.430 g/mol
Solvent CD3OD
Source File Reference UWDB1141