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PTILOMETRIC-ACID-6-O-SODIUMSULFATE;1,6,8-TRIHYDROXY-3-PROPYL-ANTHRAQUINONE-2-CARBOXYLIC-ACID-6-O-SODIUMSULFATE
SpectraBase Compound ID 8b7uFho0U1u
InChI InChI=1S/C18H14O10S.Na/c1-2-3-7-4-9-14(16(21)12(7)18(23)24)17(22)13-10(15(9)20)5-8(6-11(13)19)28-29(25,26)27;/h4-6,19,21H,2-3H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1
InChIKey NBVLLVGMVMGKNN-UHFFFAOYSA-M
Mol Weight 444.34 g/mol
Molecular Formula C18H13NaO10S
Exact Mass 444.012712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n75BlDN0La
Name PTILOMETRIC-ACID-6-O-SODIUMSULFATE;1,6,8-TRIHYDROXY-3-PROPYL-ANTHRAQUINONE-2-CARBOXYLIC-ACID-6-O-SODIUMSULFATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13NaO10S
InChI InChI=1S/C18H14O10S.Na/c1-2-3-7-4-9-14(16(21)12(7)18(23)24)17(22)13-10(15(9)20)5-8(6-11(13)19)28-29(25,26)27;/h4-6,19,21H,2-3H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1
InChIKey NBVLLVGMVMGKNN-UHFFFAOYSA-M
Literature Reference Author D.TAKAHASHI,T.MAOKA,M.TSUSHIMA,K.FUJITANI,M.KOZUKA,T.MATSUNO ,T.SHINGU
Literature Reference Citation CHEM.PHARM.BULL.,50,1609(2002)
Literature Reference DOI 10.1248/cpb.50.1609
Molecular Weight 444.345 g/mol
Solvent DMSO-D6
Source File Reference UWMS20303