![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID](/api/spectrum/27SdJrpZWw9/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID")
| SpectraBase Compound ID | 2CrQGC1q3Ur |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-43(2)14-15-48(42(60)61)22(16-43)21-8-9-26-44(3)12-11-28(45(4,20-50)25(44)10-13-46(26,5)47(21,6)17-27(48)52)65-41-37(68-40-33(57)31(55)30(54)24(18-49)64-40)35(34(58)36(67-41)38(59)62-7)66-39-32(56)29(53)23(51)19-63-39/h8,20,22-37,39-41,49,51-58H,9-19H2,1-7H3,(H,60,61)/t22?,23-,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,39-,40+,41+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | UNVVQTWUKUDMIO-ZCGLDHAISA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27SdJrpZWw9 |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-43(2)14-15-48(42(60)61)22(16-43)21-8-9-26-44(3)12-11-28(45(4,20-50)25(44)10-13-46(26,5)47(21,6)17-27(48)52)65-41-37(68-40-33(57)31(55)30(54)24(18-49)64-40)35(34(58)36(67-41)38(59)62-7)66-39-32(56)29(53)23(51)19-63-39/h8,20,22-37,39-41,49,51-58H,9-19H2,1-7H3,(H,60,61)/t22?,23-,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,39-,40+,41+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | UNVVQTWUKUDMIO-ZCGLDHAISA-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 | 971.104 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1291 |