![AMMONIUM-[3-(2-AMINOETHYLTHIO)-PROPYL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1'->4)-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID]-ONATE-HYDROCHLOR](/api/spectrum/7b3MNlPFObF/structure.png?h=300&w=458 "AMMONIUM-[3-(2-AMINOETHYLTHIO)-PROPYL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1'->4)-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID]-ONATE-HYDROCHLOR")
| SpectraBase Compound ID | EdPscPhAfue |
|---|---|
| InChI | InChI=1S/C20H37NO14S.ClH.N/c21-2-5-36-4-1-3-32-20(19(30)31)6-11(12(26)17(35-20)10(25)8-23)33-18-15(29)13(27)14(28)16(34-18)9(24)7-22;;/h9-18,22-29H,1-8,21H2,(H,30,31);1H;/q;;+1/p-1/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,20+;;/m0../s1 |
| InChIKey | UTJGWOYBQIUQME-XMARJLLYSA-M |
| Mol Weight | 597.03 g/mol |
| Molecular Formula | C20H37ClN2O14S |
| Exact Mass | 596.165403 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b3MNlPFObF |
|---|---|
| Name | AMMONIUM-[3-(2-AMINOETHYLTHIO)-PROPYL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1'->4)-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSID]-ONATE-HYDROCHLOR |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H37ClN2O14S |
| InChI | InChI=1S/C20H37NO14S.ClH.N/c21-2-5-36-4-1-3-32-20(19(30)31)6-11(12(26)17(35-20)10(25)8-23)33-18-15(29)13(27)14(28)16(34-18)9(24)7-22;;/h9-18,22-29H,1-8,21H2,(H,30,31);1H;/q;;+1/p-1/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,20+;;/m0../s1 |
| InChIKey | UTJGWOYBQIUQME-XMARJLLYSA-M |
| 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 | 597.032 g/mol |
| Solvent | PD=7,5-8,5 |