| SpectraBase Compound ID | IgGwxXgH26B |
|---|---|
| InChI | InChI=1S/C46H72O16/c1-22-31(51)33(53)35(55)38(57-22)61-36-34(54)32(52)28(20-47)60-39(36)62-40(56)46-16-14-42(6,21-48)18-26(46)25-10-11-30-43(7)19-27(58-23(2)49)37(59-24(3)50)41(4,5)29(43)12-13-45(30,9)44(25,8)15-17-46/h10,22,26-39,47-48,51-55H,11-21H2,1-9H3/t22-,26-,27+,28+,29?,30?,31-,32+,33+,34-,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1 |
| InChIKey | BQHXPOLYHQNGHO-VSXJPCOSSA-N |
| Mol Weight | 881.1 g/mol |
| Molecular Formula | C46H72O16 |
| Exact Mass | 880.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uT6VUw3TV0 |
|---|---|
| Name | AQUILEGIFOLIN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O16 |
| InChI | InChI=1S/C46H72O16/c1-22-31(51)33(53)35(55)38(57-22)61-36-34(54)32(52)28(20-47)60-39(36)62-40(56)46-16-14-42(6,21-48)18-26(46)25-10-11-30-43(7)19-27(58-23(2)49)37(59-24(3)50)41(4,5)29(43)12-13-45(30,9)44(25,8)15-17-46/h10,22,26-39,47-48,51-55H,11-21H2,1-9H3/t22-,26-,27+,28+,29?,30?,31-,32+,33+,34-,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1 |
| InChIKey | BQHXPOLYHQNGHO-VSXJPCOSSA-N |
| Literature Reference Author | H.INA,Y.OHTA,H.IIDA |
| Literature Reference Citation | PHYTOCHEM.,24,2655(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80687-1 |
| Molecular Weight | 881.068 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK312 |