| SpectraBase Compound ID | 2O3Aihx4Hfu |
|---|---|
| InChI | InChI=1S/C47H62O23/c1-62-30-15-23(5-10-28(30)50)13-25(19-65-45-42(59)39(56)36(53)32(17-48)68-45)26(14-24-6-11-29(51)31(16-24)63-2)20-66-46-43(60)41(58)38(55)34(70-46)21-64-35(52)12-7-22-3-8-27(9-4-22)67-47-44(61)40(57)37(54)33(18-49)69-47/h3-12,15-16,25-26,32-34,36-51,53-61H,13-14,17-21H2,1-2H3/b12-7+/t25?,26?,32-,33+,34-,36-,37+,38-,39+,40-,41+,42-,43-,44+,45-,46-,47+/m0/s1 |
| InChIKey | KGIXNEMQKHUCPE-ZQPOVRBJSA-N |
| Mol Weight | 995.0 g/mol |
| Molecular Formula | C47H62O23 |
| Exact Mass | 994.368188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1QMCg1yFg0 |
|---|---|
| Name | SDG+COU-AG |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H62O23 |
| InChI | InChI=1S/C47H62O23/c1-62-30-15-23(5-10-28(30)50)13-25(19-65-45-42(59)39(56)36(53)32(17-48)68-45)26(14-24-6-11-29(51)31(16-24)63-2)20-66-46-43(60)41(58)38(55)34(70-46)21-64-35(52)12-7-22-3-8-27(9-4-22)67-47-44(61)40(57)37(54)33(18-49)69-47/h3-12,15-16,25-26,32-34,36-51,53-61H,13-14,17-21H2,1-2H3/b12-7+/t25?,26?,32-,33+,34-,36-,37+,38-,39+,40-,41+,42-,43-,44+,45-,46-,47+/m0/s1 |
| InChIKey | KGIXNEMQKHUCPE-ZQPOVRBJSA-N |
| Literature Reference Author | K.STRUIJS,J.P.VINCKEN,R.VERHOEF,A.G.J.VORAGEN,H.GRUPPEN |
| Literature Reference Citation | PHYTOCHEM.,69,1250(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.11.010 |
| Molecular Weight | 994.995 g/mol |
| Sample ID | 44001 |
| Solvent | CD3OD |