| SpectraBase Compound ID | AEBRfFyMcGE |
|---|---|
| InChI | InChI=1S/C27H36O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h9,14-15,17-19,22,24H,5-8,10-13H2,1-4H3/t14-,15-,17?,18?,19?,22?,24?,25?,26?,27+/m0/s1 |
| InChIKey | PJNWRUYLFKBOLU-YGWRAYTHSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O5 |
| Exact Mass | 440.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AlsiU3R8fC |
|---|---|
| Name | 25R-SPIROSTAN-4-ENE-3,6,12-TRIONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O5 |
| InChI | InChI=1S/C27H36O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h9,14-15,17-19,22,24H,5-8,10-13H2,1-4H3/t14-,15-,17?,18?,19?,22?,24?,25?,26?,27+/m0/s1 |
| InChIKey | PJNWRUYLFKBOLU-YGWRAYTHSA-N |
| Literature Reference Author | Y.X.XU,H.S.CHEN,W.Y.LIU,Z.B.GU,H.Q.LIANG |
| Literature Reference Citation | PHYTOCHEM.,49,199(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01059-5 |
| Molecular Weight | 440.580 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU74 |