| SpectraBase Compound ID | JHDO00i1O4i |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)55-35-33(49)31(47)29(45)24(54-35)20-52-34-32(48)30(46)28(44)23(19-43)53-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,39-,40+,41+,42-/m0/s1 |
| InChIKey | XZKIWMBXEHXZKB-GWIVOYSISA-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 | dZpLfD2l5T |
|---|---|
| Name | BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-3-O-OLEANOIC-ACID |
| Compound Number | 4 |
| 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(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)55-35-33(49)31(47)29(45)24(54-35)20-52-34-32(48)30(46)28(44)23(19-43)53-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,39-,40+,41+,42-/m0/s1 |
| InChIKey | XZKIWMBXEHXZKB-GWIVOYSISA-N |
| Literature Reference Author | W.SEEBACHER,E.HASLINGER,K.RAUCHENSTEINER,J.JURENITSCH,A.PRES SER,R.WEIS |
| Literature Reference Citation | MH.CHEM.,130,887(1999) |
| Literature Reference DOI | 10.1007/s007060050249 |
| Molecular Weight | 780.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS25594 |