![DUBIOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER](/api/spectrum/A8bBcFEZVua/structure.png?h=300&w=458 "DUBIOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | ICtA0JmXbro |
|---|---|
| InChI | InChI=1S/C54H84O24/c1-22-31(59)34(62)38(66)44(72-22)76-41-32(60)25(57)20-71-46(41)78-48(69)54-16-15-49(2,3)17-24(54)23-9-10-28-50(4)13-12-30(51(5,21-56)27(50)11-14-52(28,6)53(23,7)18-29(54)58)74-47-42(37(65)36(64)40(75-47)43(68)70-8)77-45-39(67)35(63)33(61)26(19-55)73-45/h9,21-22,24-42,44-47,55,57-67H,10-20H2,1-8H3/t22-,24?,25-,26+,27?,28?,29+,30-,31-,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,50-,51-,52+,53+,54+/m0/s1 |
| InChIKey | JFHDELCAVRCABG-BAZRHTBHSA-N |
| Mol Weight | 1117.2 g/mol |
| Molecular Formula | C54H84O24 |
| Exact Mass | 1116.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8bBcFEZVua |
|---|---|
| Name | DUBIOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER |
| Compound Number | 160 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O24 |
| InChI | InChI=1S/C54H84O24/c1-22-31(59)34(62)38(66)44(72-22)76-41-32(60)25(57)20-71-46(41)78-48(69)54-16-15-49(2,3)17-24(54)23-9-10-28-50(4)13-12-30(51(5,21-56)27(50)11-14-52(28,6)53(23,7)18-29(54)58)74-47-42(37(65)36(64)40(75-47)43(68)70-8)77-45-39(67)35(63)33(61)26(19-55)73-45/h9,21-22,24-42,44-47,55,57-67H,10-20H2,1-8H3/t22-,24?,25-,26+,27?,28?,29+,30-,31-,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,50-,51-,52+,53+,54+/m0/s1 |
| InChIKey | JFHDELCAVRCABG-BAZRHTBHSA-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 | 1117.247 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1321 |