| SpectraBase Compound ID | C4rNuTBG2vx |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)65-39-36(57)34(55)32(53)26(64-39)21-61-41-38(35(56)31(52)25(20-50)63-41)66-40-37(58)33(54)30(51)24(19-49)62-40/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | YCTQDTKLPPPFFC-KIPUUHATSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97t3RH4lKln |
|---|---|
| Name | BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-30-OLEANOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)65-39-36(57)34(55)32(53)26(64-39)21-61-41-38(35(56)31(52)25(20-50)63-41)66-40-37(58)33(54)30(51)24(19-49)62-40/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | YCTQDTKLPPPFFC-KIPUUHATSA-N |
| Literature Reference Author | W.SEEBACHER,R.WEIS,J.JURENITSCH,K.RAUCHENSTEINER,E.HASLINGER |
| Literature Reference Citation | MH.CHEM.,130,1383(1999) |
| Literature Reference DOI | 10.1007/s007060050296 |
| Molecular Weight | 943.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS25243 |