![3-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER](/api/spectrum/J2BKH5OFCVd/structure.png?h=300&w=458 "3-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | Bb1GFJ0SmBB |
|---|---|
| InChI | InChI=1S/C47H74O18/c1-41(2)14-16-46(40(58)65-37-31(53)29(51)28(50)24(19-48)61-37)17-15-44(6)22(23(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)62-38-32(54)30(52)33(34(64-38)36(56)57)63-39-35(55)47(59,20-49)21-60-39/h8,23-35,37-39,48-55,59H,9-21H2,1-7H3,(H,56,57)/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,37-,38+,39+,43-,44+,45+,46-,47-/m0/s1 |
| InChIKey | LOXREAHYUNAOSJ-VRTCNROYSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C47H74O18 |
| Exact Mass | 926.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2BKH5OFCVd |
|---|---|
| Name | 3-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O18 |
| InChI | InChI=1S/C47H74O18/c1-41(2)14-16-46(40(58)65-37-31(53)29(51)28(50)24(19-48)61-37)17-15-44(6)22(23(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)62-38-32(54)30(52)33(34(64-38)36(56)57)63-39-35(55)47(59,20-49)21-60-39/h8,23-35,37-39,48-55,59H,9-21H2,1-7H3,(H,56,57)/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,37-,38+,39+,43-,44+,45+,46-,47-/m0/s1 |
| InChIKey | LOXREAHYUNAOSJ-VRTCNROYSA-N |
| Literature Reference Author | F.R.MELEK,T.MIYASE,S.M.A.KHALIK,M.R.EL-GINDI |
| Literature Reference Citation | PHYTOCHEM.,63,401(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00117-1 |
| Molecular Weight | 927.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29736 |