| SpectraBase Compound ID | 3hs9HZRHcHC |
|---|---|
| InChI | InChI=1S/C28H51N2O22PS.ClH.2N/c1-11(33)30-16-18(37)17(36)15(48-25(16)46-4-2-5-54-6-3-29)10-47-28(27(41)42)7-14(52-53(43,44)45)24(23(51-28)13(35)9-32)50-26-21(40)19(38)20(39)22(49-26)12(34)8-31;;;/h12-26,31-32,34-40H,2-10,29H2,1H3,(H,30,33)(H,41,42)(H2,43,44,45);1H;;/q;;2*+1/p-2/t12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22-,23+,24+,25-,26-,28+;;;/m0.../s1 |
| InChIKey | UCEKKDITFFGAJT-DKMPAZSWSA-L |
| Mol Weight | 893.201 g/mol |
| Molecular Formula | C28H50ClN4O22PS |
| Exact Mass | 892.206355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpX22HHu6LK |
|---|---|
| Name | AMMONIUM-[2-ACETAMIDO-1-O-3-(2-AMINOETHYLTHIO)-PROPYL-2,6-DIDEOXY-BETA-D-GLUCOPYRANOS-6-YL-O-(L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1''->5'')-3'- |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H49ClN4O22PS |
| InChI | InChI=1S/C28H51N2O22PS.ClH.2N/c1-11(33)30-16-18(37)17(36)15(48-25(16)46-4-2-5-54-6-3-29)10-47-28(27(41)42)7-14(52-53(43,44)45)24(23(51-28)13(35)9-32)50-26-21(40)19(38)20(39)22(49-26)12(34)8-31;;;/h12-26,31-32,34-40H,2-10,29H2,1H3,(H,30,33)(H,41,42)(H2,43,44,45);1H;;/q;;2*+1/p-2/t12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22-,23+,24+,25-,26-,28+;;;/m0.../s1 |
| InChIKey | UCEKKDITFFGAJT-DKMPAZSWSA-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 | 892.197 g/mol |
| Solvent | PD=7,5-8,5 |