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METHYL-(SODIUM-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSYL)-ONATE)-(2-8)-(SODIUM-3-DEOXY-8-(R)-[8-2H]-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID)-ONATE
SpectraBase Compound ID 5T200YPZnIW
InChI InChI=1S/C17H28O15.2Na/c1-29-16(14(25)26)2-6(19)11(24)13(31-16)9(22)5-30-17(15(27)28)3-7(20)10(23)12(32-17)8(21)4-18;;/h6-13,18-24H,2-5H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;/m0../s1/i5D;;/t5-,6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;
InChIKey MPFZLQAVZKANFX-BXFRTALRSA-L
Mol Weight 517.36564034 g/mol
Molecular Formula C17H252HNa2O15
Exact Mass 517.112985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrqtG2DGEKI
Name METHYL-(SODIUM-(3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSYL)-ONATE)-(2-8)-(SODIUM-3-DEOXY-8-(R)-[8-2H]-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID)-ONATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H252HNa2O15
InChI InChI=1S/C17H28O15.2Na/c1-29-16(14(25)26)2-6(19)11(24)13(31-16)9(22)5-30-17(15(27)28)3-7(20)10(23)12(32-17)8(21)4-18;;/h6-13,18-24H,2-5H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2/t6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;/m0../s1/i5D;;/t5-,6-,7+,8?,9+,10+,11-,12+,13-,16-,17+;;
InChIKey MPFZLQAVZKANFX-BXFRTALRSA-L
Literature Reference Author P.KOSMA,M.STROBL,A.HOFINGER,J.O.DUUS,B.O.PETERSEN,K.BOCK,H.B RADE
Literature Reference Citation MH.CHEM.,133,561(2002)
Literature Reference DOI 10.1007/s007060200029
Molecular Weight 517.370 g/mol
Solvent Unknown
Source File Reference UWKP4409