![3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/Eu86K2QD2e2/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | ArzK9k04cAT |
|---|---|
| InChI | InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | MLRZPRGBFKQPOT-FROOIJIJSA-N |
| Mol Weight | 940.1 g/mol |
| Molecular Formula | C48H77NO17 |
| Exact Mass | 939.51915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eu86K2QD2e2 |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H77NO17 |
| InChI | InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | MLRZPRGBFKQPOT-FROOIJIJSA-N |
| Literature Reference Author | F.R.MELEK,T.MIYASE,N.S.GHALY,M.NABIL |
| Literature Reference Citation | PHYTOCHEM.,68,1261(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.02.023 |
| Molecular Weight | 940.136 g/mol |
| Sample ID | 62377 |
| Solvent | C5D5N |