![PSEUDOGINSENOSIDE_RI2;BIS-[OLEANOLIC_ACID-3-O-BETA-D-GLUCURONOPYRANOSYL-(2->1)-BETA-D-XYLOPYRANOSYL-4-O-]-PHTHALATE](/api/spectrum/GvAa1HOuXbk/structure.png?h=300&w=458 "PSEUDOGINSENOSIDE_RI2;BIS-[OLEANOLIC_ACID-3-O-BETA-D-GLUCURONOPYRANOSYL-(2->1)-BETA-D-XYLOPYRANOSYL-4-O-]-PHTHALATE")
| SpectraBase Compound ID | 66EUBv1eZjf |
|---|---|
| InChI | InChI=1S/C90H130O28/c1-79(2)31-35-89(77(105)106)37-33-85(11)45(47(89)39-79)19-21-53-83(9)27-25-55(81(5,6)51(83)23-29-87(53,85)13)113-75-67(61(95)59(93)65(115-75)69(99)100)117-73-63(97)57(91)49(41-109-73)111-71(103)43-17-15-16-18-44(43)72(104)112-50-42-110-74(64(98)58(50)92)118-68-62(96)60(94)66(70(101)102)116-76(68)114-56-26-28-84(10)52(82(56,7)8)24-30-88(14)54(84)22-20-46-48-40-80(3,4)32-36-90(48,78(107)108)38-34-86(46,88)12/h15-20,47-68,73-76,91-98H,21-42H2,1-14H3,(H,99,100)(H,101,102)(H,105,106)(H,107,108)/t47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65-,66+,67+,68-,73-,74+,75+,76-,83-,84+,85+,86-,87+,88-,89-,90+ |
| InChIKey | GJECHOIPHGHGJJ-FXLZBXBQSA-N |
| Mol Weight | 1660.0 g/mol |
| Molecular Formula | C90H130O28 |
| Exact Mass | 1658.874864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvAa1HOuXbk |
|---|---|
| Name | PSEUDOGINSENOSIDE_RI2;BIS-[OLEANOLIC_ACID-3-O-BETA-D-GLUCURONOPYRANOSYL-(2->1)-BETA-D-XYLOPYRANOSYL-4-O-]-PHTHALATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H130O28 |
| InChI | InChI=1S/C90H130O28/c1-79(2)31-35-89(77(105)106)37-33-85(11)45(47(89)39-79)19-21-53-83(9)27-25-55(81(5,6)51(83)23-29-87(53,85)13)113-75-67(61(95)59(93)65(115-75)69(99)100)117-73-63(97)57(91)49(41-109-73)111-71(103)43-17-15-16-18-44(43)72(104)112-50-42-110-74(64(98)58(50)92)118-68-62(96)60(94)66(70(101)102)116-76(68)114-56-26-28-84(10)52(82(56,7)8)24-30-88(14)54(84)22-20-46-48-40-80(3,4)32-36-90(48,78(107)108)38-34-86(46,88)12/h15-20,47-68,73-76,91-98H,21-42H2,1-14H3,(H,99,100)(H,101,102)(H,105,106)(H,107,108)/t47-,48+,49+,50-,51-,52+,53+,54-,55-,56+,57-,58+,59-,60+,61-,62+,63+,64-,65-,66+,67+,68-,73-,74+,75+,76-,83-,84+,85+,86-,87+,88-,89-,90+ |
| InChIKey | GJECHOIPHGHGJJ-FXLZBXBQSA-N |
| Literature Reference Author | Y.N.SHUKLA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,29,239(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89041-7 |
| Molecular Weight | 1660.005 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25531 |