![RUBICUNOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSY](/api/spectrum/JTI8qvD2MV7/structure.png?h=300&w=458 "RUBICUNOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSY")
| SpectraBase Compound ID | 3njmTxogdji |
|---|---|
| InChI | InChI=1S/C79H122O42/c1-27-42(88)47(93)60(110-30(4)82)70(107-27)120-63-61(111-31(5)83)56(115-68-52(98)48(94)55(28(2)108-68)114-67-54(100)57(36(86)25-106-67)116-65-49(95)43(89)34(84)23-104-65)29(3)109-71(63)121-73(103)79-19-18-74(6,7)20-33(79)32-12-13-39-75(8)16-15-41(76(9,26-81)38(75)14-17-77(39,10)78(32,11)21-40(79)87)113-72-62(119-69-51(97)46(92)45(91)37(22-80)112-69)58(53(99)59(118-72)64(101)102)117-66-50(96)44(90)35(85)24-105-66/h12,26-29,33-63,65-72,80,84-100H,13-25H2,1-11H3,(H,101,102)/t27-,28+,29-,33?,34+,35-,36+,37+,38?,39?,40-,41+,42-,43-,44+,45-,46-,47+,48+,49+,50-,51+,52-,53+,54+,55+,56+,57-,58+,59+,60-,61+,62-,63-,65-,66+,67-,68+,69-,70+,71+,72-,75+,76+,77-,78-,79-/m1/s1 |
| InChIKey | LTXABTDDZDZEJK-DASZZFTISA-N |
| Mol Weight | 1743.8 g/mol |
| Molecular Formula | C79H122O42 |
| Exact Mass | 1742.741068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTI8qvD2MV7 |
|---|---|
| Name | RUBICUNOSIDE-A;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSY |
| Compound Number | 146 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H122O42 |
| InChI | InChI=1S/C79H122O42/c1-27-42(88)47(93)60(110-30(4)82)70(107-27)120-63-61(111-31(5)83)56(115-68-52(98)48(94)55(28(2)108-68)114-67-54(100)57(36(86)25-106-67)116-65-49(95)43(89)34(84)23-104-65)29(3)109-71(63)121-73(103)79-19-18-74(6,7)20-33(79)32-12-13-39-75(8)16-15-41(76(9,26-81)38(75)14-17-77(39,10)78(32,11)21-40(79)87)113-72-62(119-69-51(97)46(92)45(91)37(22-80)112-69)58(53(99)59(118-72)64(101)102)117-66-50(96)44(90)35(85)24-105-66/h12,26-29,33-63,65-72,80,84-100H,13-25H2,1-11H3,(H,101,102)/t27-,28+,29-,33?,34+,35-,36+,37+,38?,39?,40-,41+,42-,43-,44+,45-,46-,47+,48+,49+,50-,51+,52-,53+,54+,55+,56+,57-,58+,59+,60-,61+,62-,63-,65-,66+,67-,68+,69-,70+,71+,72-,75+,76+,77-,78-,79-/m1/s1 |
| InChIKey | LTXABTDDZDZEJK-DASZZFTISA-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 | 1743.812 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1318 |