| SpectraBase Compound ID | 9Ot080fITWX |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLMKQQMDOMTZGG-VGWBYOCFSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAfMRwZYERS |
|---|---|
| Name | HEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLMKQQMDOMTZGG-VGWBYOCFSA-N |
| Literature Reference Author | M.P.SOUSA,M.E.O.MATOS,M.I.L.MACHADO,R.B.FILHO,I.VENCATO,Y.P. MASCARENHAS |
| Literature Reference Citation | PHYTOCHEM.,23,2589(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84104-7 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK613 |