![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/Los9FH5rH3X/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | 5sdkyHNMBuB |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)15-16-48(42(59)60)22(17-43)21-9-10-26-45(5)13-12-28(44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51)64-41-37(67-40-33(56)31(54)30(53)24(19-49)63-40)35(34(57)36(66-41)38(58)61-8)65-39-32(55)29(52)23(50)20-62-39/h9,22-37,39-41,49-57H,10-20H2,1-8H3,(H,59,60)/t22?,23-,24+,25?,26?,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,39+,40-,41-,45+,46-,47-,48-/m1/s1 |
| InChIKey | SNIDOGPTMJSKBM-NWBZYHQBSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Los9FH5rH3X |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)15-16-48(42(59)60)22(17-43)21-9-10-26-45(5)13-12-28(44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51)64-41-37(67-40-33(56)31(54)30(53)24(19-49)63-40)35(34(57)36(66-41)38(58)61-8)65-39-32(55)29(52)23(50)20-62-39/h9,22-37,39-41,49-57H,10-20H2,1-8H3,(H,59,60)/t22?,23-,24+,25?,26?,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,39+,40-,41-,45+,46-,47-,48-/m1/s1 |
| InChIKey | SNIDOGPTMJSKBM-NWBZYHQBSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1345 |