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(1S,6R)-1-[(1S,2S)-3-(4-acetylpiperazin-1-yl)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone

View entire compound with spectra: 1 NMR

(1S,6R)-1-[(1S,2S)-3-(4-acetylpiperazin-1-yl)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone
SpectraBase Compound ID JcpWOE1Seij
InChI InChI=1S/C18H28N4O7/c1-11-4-9-29-18(15(26)19-17(11,28)14(25)20-18)13(24)16(3,27)10-21-5-7-22(8-6-21)12(2)23/h13,24,27-28H,1,4-10H2,2-3H3,(H,19,26)(H,20,25)/t13-,16-,17+,18-/m0/s1
InChIKey OMBUIVLYULPILZ-RUGDWHBFSA-N
Mol Weight 412.44 g/mol
Molecular Formula C18H28N4O7
Exact Mass 412.195799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pe3BQErYH8
Name (1S,6R)-1-[(1S,2S)-3-(4-acetylpiperazin-1-yl)-1,2-dihydroxy-2-methyl-propyl]-6-hydroxy-5-methylene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-quinone
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N4O7
InChI InChI=1S/C18H28N4O7/c1-11-4-9-29-18(15(26)19-17(11,28)14(25)20-18)13(24)16(3,27)10-21-5-7-22(8-6-21)12(2)23/h13,24,27-28H,1,4-10H2,2-3H3,(H,19,26)(H,20,25)/t13-,16-,17+,18-/m0/s1
InChIKey OMBUIVLYULPILZ-RUGDWHBFSA-N
Literature Reference Author H.G.PARK,M.A.VELA,H.KOHN
Literature Reference Citation J.AM.CHEM.SOC.,116,471(1994)
Literature Reference DOI 10.1021/ja00081a006
Molecular Weight 412.443 g/mol
Solvent CD3OD
Source File Reference UWRU6934