![28-O-[GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL]-OLEANOLIC-ACID-ESTER](/api/spectrum/7xOt4KVnkQI/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL]-OLEANOLIC-ACID-ESTER")
| SpectraBase Compound ID | 5X5zoquqEeM |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(54-35)20-52-34-32(49)30(47)28(45)23(19-43)53-34)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(44)38(3,4)25(39)10-13-41(26,40)7/h8,22-35,43-50H,9-20H2,1-7H3/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | RCCBQPYIPSPBFI-PIHNRNRBSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xOt4KVnkQI |
|---|---|
| Name | ROTUNDIOSIDE-B-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(54-35)20-52-34-32(49)30(47)28(45)23(19-43)53-34)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(44)38(3,4)25(39)10-13-41(26,40)7/h8,22-35,43-50H,9-20H2,1-7H3/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | RCCBQPYIPSPBFI-PIHNRNRBSA-N |
| Literature Reference Author | E.AKAI,T.TAKEDO,Y.KOBAYASHI,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,3715(1985) |
| Literature Reference DOI | 10.1248/cpb.33.3715 |
| Molecular Weight | 780.994 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK605 |