| SpectraBase Compound ID | KEdvenxk1M3 |
|---|---|
| InChI | InChI=1S/C20H38NO17PS.ClH.2N/c21-2-5-40-4-1-3-34-20(19(29)30)6-11(17(38-39(31,32)33)16(37-20)10(25)8-23)35-18-14(28)12(26)13(27)15(36-18)9(24)7-22;;;/h9-18,22-28H,1-8,21H2,(H,29,30)(H2,31,32,33);1H;;/q;;2*+1/p-2/t9-,10?,11+,12+,13+,14+,15-,16+,17+,18+,20+;;;/m0.../s1 |
| InChIKey | WNNFLZJLTCQJPQ-SICBKWIISA-L |
| Mol Weight | 690.007 g/mol |
| Molecular Formula | C20H37ClN3O17PS |
| Exact Mass | 689.126983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ce1Bei4SRaC |
|---|---|
| Name | 3-(2-AMINOETHYLTHIO)-PROPYL-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1'->4)-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDONATE-5-(AMMONIUM-HYDROGEN-PHO |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H36ClN3O17PS |
| InChI | InChI=1S/C20H38NO17PS.ClH.2N/c21-2-5-40-4-1-3-34-20(19(29)30)6-11(17(38-39(31,32)33)16(37-20)10(25)8-23)35-18-14(28)12(26)13(27)15(36-18)9(24)7-22;;;/h9-18,22-28H,1-8,21H2,(H,29,30)(H2,31,32,33);1H;;/q;;2*+1/p-2/t9-,10?,11+,12+,13+,14+,15-,16+,17+,18+,20+;;;/m0.../s1 |
| InChIKey | WNNFLZJLTCQJPQ-SICBKWIISA-L |
| Literature Reference Author | H.SEKLJIC,N.WIMMER,A.HOFINGER,H.BRADE,P.KOSMA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1973(1997) |
| Literature Reference DOI | 10.1039/a700497d |
| Molecular Weight | 689.002 g/mol |
| Solvent | PD=7,5-8,5 |