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PANOSIALIN-WB;5-(PENTADECYL)-1,3-BENZENEDIOL-1-(SODIUM-SULFATE)
SpectraBase Compound ID 73PQQeBCayC
InChI InChI=1S/C21H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25;/h16-18,22H,2-15H2,1H3,(H,23,24,25);/q;+1/p-1
InChIKey OVBYGFOWMSCFEW-UHFFFAOYSA-M
Mol Weight 422.6 g/mol
Molecular Formula C21H35NaO5S
Exact Mass 422.21029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kf7F5kFGDru
Name PANOSIALIN-WB;5-(PENTADECYL)-1,3-BENZENEDIOL-1-(SODIUM-SULFATE)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35NaO5S
InChI InChI=1S/C21H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25;/h16-18,22H,2-15H2,1H3,(H,23,24,25);/q;+1/p-1
InChIKey OVBYGFOWMSCFEW-UHFFFAOYSA-M
Literature Reference Author H.YAMADA,K.SHIOMI,Q.XU,T.NAGAI,M.SHIBATA,I.OYA,Y.TAKAHASHI,S .OMURA
Literature Reference Citation J.ANTIBIOTICS,48,205(1995)
Literature Reference DOI 10.7164/antibiotics.48.205
Molecular Weight 422.556 g/mol
Solvent CD3OD
Source File Reference UWRU2881