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PANOSIALIN-WA;5-(13-METHYLTETRADECYL)-1,3-BENZENEDIOL-1-(SODIUM-SULFATE)

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PANOSIALIN-WA;5-(13-METHYLTETRADECYL)-1,3-BENZENEDIOL-1-(SODIUM-SULFATE)
SpectraBase Compound ID 6yI5Hso02L2
InChI InChI=1S/C21H36O5S.Na/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(16-19)26-27(23,24)25;/h15-18,22H,3-14H2,1-2H3,(H,23,24,25);/q;+1/p-1
InChIKey VUBYGVHVOFUTSX-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 gdWxqTBzq9
Name PANOSIALIN-WA;5-(13-METHYLTETRADECYL)-1,3-BENZENEDIOL-1-(SODIUM-SULFATE)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35NaO5S
InChI InChI=1S/C21H36O5S.Na/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(16-19)26-27(23,24)25;/h15-18,22H,3-14H2,1-2H3,(H,23,24,25);/q;+1/p-1
InChIKey VUBYGVHVOFUTSX-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 UWRU2880