![DUBIOSIDE-B;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-AR](/api/spectrum/G4dhMTgDFOm/structure.png?h=300&w=458 "DUBIOSIDE-B;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-AR")
| SpectraBase Compound ID | 2lYdWWcJ6qN |
|---|---|
| InChI | InChI=1S/C59H92O28/c1-23-43(83-48-40(72)33(65)26(62)20-78-48)39(71)42(74)49(80-23)85-45-34(66)27(63)21-79-51(45)87-53(76)59-16-15-54(2,3)17-25(59)24-9-10-30-55(4)13-12-32(56(5,22-61)29(55)11-14-57(30,6)58(24,7)18-31(59)64)82-52-46(38(70)37(69)44(84-52)47(75)77-8)86-50-41(73)36(68)35(67)28(19-60)81-50/h9,22-23,25-46,48-52,60,62-74H,10-21H2,1-8H3/t23-,25?,26-,27-,28+,29?,30?,31+,32-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,48+,49-,50-,51-,52+,55-,56-,57+,58+,59+/m0/s1 |
| InChIKey | CIUFKMGZEKGXGE-HEFXCLMBSA-N |
| Mol Weight | 1249.4 g/mol |
| Molecular Formula | C59H92O28 |
| Exact Mass | 1248.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4dhMTgDFOm |
|---|---|
| Name | DUBIOSIDE-B;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-AR |
| Compound Number | 161 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H92O28 |
| InChI | InChI=1S/C59H92O28/c1-23-43(83-48-40(72)33(65)26(62)20-78-48)39(71)42(74)49(80-23)85-45-34(66)27(63)21-79-51(45)87-53(76)59-16-15-54(2,3)17-25(59)24-9-10-30-55(4)13-12-32(56(5,22-61)29(55)11-14-57(30,6)58(24,7)18-31(59)64)82-52-46(38(70)37(69)44(84-52)47(75)77-8)86-50-41(73)36(68)35(67)28(19-60)81-50/h9,22-23,25-46,48-52,60,62-74H,10-21H2,1-8H3/t23-,25?,26-,27-,28+,29?,30?,31+,32-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,48+,49-,50-,51-,52+,55-,56-,57+,58+,59+/m0/s1 |
| InChIKey | CIUFKMGZEKGXGE-HEFXCLMBSA-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 | 1249.363 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1322 |