SpectraBase Compound ID | HsuKqfbJSUT |
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InChI | InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1 |
InChIKey | JEMFELUWHNIUOS-ODQKYUDRSA-M |
Mol Weight | 523.48 g/mol |
Molecular Formula | C18H30NNaO13S |
Exact Mass | 523.133555 g/mol |
SpectraBase Spectrum ID | 9A4TyA7xn04 |
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Name | SODIUM-SALT-OF-5-ACETAMIDO-3,5-DIDEOXY-2-THIO-ALPHA-D-GLYCERO-D-GALACTO-NONULOPYRANOSYLONIC-ACID-(2-S-6)-7-DEOXY-L-GLYCERO-D-GALACTO-HEPT |
Compound Number | 22B- |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C18H30NNaO13S |
InChI | InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1 |
InChIKey | JEMFELUWHNIUOS-ODQKYUDRSA-M |
Literature Reference Author | S.SABESAN,S.NEIRA,F.DAVIDSON,J.O.DUUS,K.BOCK |
Literature Reference Citation | J.AM.CHEM.SOC.,116,1616(1994) |
Literature Reference DOI | 10.1021/ja00084a003 |
Molecular Weight | 523.485 g/mol |
Solvent | D2O |
Source File Reference | UWRU6999 |