![3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID](/api/spectrum/7W62bNixEvm/structure.png?h=300&w=458 "3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID")
| SpectraBase Compound ID | ENiJpYw7e85 |
|---|---|
| InChI | InChI=1S/C46H70O19/c1-41(2)14-16-46(40(59)65-37-30(52)29(51)28(50)23(19-47)61-37)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)62-38-32(54)33(31(53)34(64-38)35(55)56)63-39(36(57)58)60-20-27(48)49/h8,22-26,28-34,37-39,47,50-54H,9-20H2,1-7H3,(H,48,49)(H,55,56)(H,57,58)/t22?,23-,24?,25?,26+,28-,29+,30-,31+,32-,33+,34+,37+,38-,39+,43+,44-,45-,46+/m1/s1 |
| InChIKey | DVEJWYUSLPQXTD-JGCNCYHSSA-N |
| Mol Weight | 927.0 g/mol |
| Molecular Formula | C46H70O19 |
| Exact Mass | 926.45113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W62bNixEvm |
|---|---|
| Name | 3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H70O19 |
| InChI | InChI=1S/C46H70O19/c1-41(2)14-16-46(40(59)65-37-30(52)29(51)28(50)23(19-47)61-37)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)62-38-32(54)33(31(53)34(64-38)35(55)56)63-39(36(57)58)60-20-27(48)49/h8,22-26,28-34,37-39,47,50-54H,9-20H2,1-7H3,(H,48,49)(H,55,56)(H,57,58)/t22?,23-,24?,25?,26+,28-,29+,30-,31+,32-,33+,34+,37+,38-,39+,43+,44-,45-,46+/m1/s1 |
| InChIKey | DVEJWYUSLPQXTD-JGCNCYHSSA-N |
| Literature Reference Author | C.LAVAUD,S.BEAUVIERE,G.MASSIOT,L.L.MEN-OLIVIER,G.BOURDY |
| Literature Reference Citation | PHYTOCHEM.,43,189(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00253-1 |
| Molecular Weight | 927.050 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1934 |