| SpectraBase Compound ID | 2ff652Y5ouh |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20-,21-,22-,23+,24-,25+,26-,27-,28+,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-MOJLLMCOSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DTFNWEsbBv |
|---|---|
| Name | ILEXSAPONIN-A1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20-,21-,22-,23+,24-,25+,26-,27-,28+,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-MOJLLMCOSA-N |
| Literature Reference Author | K.HIDAKA,M.ITO,Y.MATSUDA,H.KOHDA,K.YAMASAKI,J.YAMAHARA |
| Literature Reference Citation | PHYTOCHEM.,26,2023(1987) |
| Literature Reference DOI | 10.1016/S0031-9422(00)81750-1 |
| Molecular Weight | 664.834 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK507 |