| SpectraBase Compound ID | Ef18LPgc5Bc |
|---|---|
| InChI | InChI=1S/C46H68O13/c1-25(47)53-24-32-36(55-27(3)49)37(56-28(4)50)38(57-29(5)51)39(58-32)59-40(52)46-21-19-41(6,7)23-31(46)30-13-14-34-43(10)17-16-35(54-26(2)48)42(8,9)33(43)15-18-45(34,12)44(30,11)20-22-46/h13,31-39H,14-24H2,1-12H3/t31-,32+,33-,34+,35-,36+,37-,38+,39-,43-,44+,45+,46-/m0/s1 |
| InChIKey | GBSMDKSSIMSIGJ-VGOTTWSCSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C46H68O13 |
| Exact Mass | 828.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iAJdqkKw3G |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-PERACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H68O13 |
| InChI | InChI=1S/C46H68O13/c1-25(47)53-24-32-36(55-27(3)49)37(56-28(4)50)38(57-29(5)51)39(58-32)59-40(52)46-21-19-41(6,7)23-31(46)30-13-14-34-43(10)17-16-35(54-26(2)48)42(8,9)33(43)15-18-45(34,12)44(30,11)20-22-46/h13,31-39H,14-24H2,1-12H3/t31-,32+,33-,34+,35-,36+,37-,38+,39-,43-,44+,45+,46-/m0/s1 |
| InChIKey | GBSMDKSSIMSIGJ-VGOTTWSCSA-N |
| Literature Reference Author | G.MASSIOT,M.G.DIJOUX,C.LAVAUD,L.L.MEN-OLIVIER,J.D.CONNOLLY,D .M.SHEELEY |
| Literature Reference Citation | PHYTOCHEM.,37,1667(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89589-8 |
| Molecular Weight | 829.038 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6433 |