| SpectraBase Compound ID | KFyLuFQcFT0 |
|---|---|
| InChI | InChI=1S/C29H44O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10-12,18-21,23-25,27H,7,9,13-17H2,1-6H3/b12-11+/t20-,21-,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | MHRFLGDBPPPYBG-ABEINVJOSA-N |
| Mol Weight | 408.7 g/mol |
| Molecular Formula | C29H44O |
| Exact Mass | 408.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYCIUTEGaU4 |
|---|---|
| Name | STIGMASTA-3,5,22-TRIEN-7-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O |
| InChI | InChI=1S/C29H44O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10-12,18-21,23-25,27H,7,9,13-17H2,1-6H3/b12-11+/t20-,21-,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | MHRFLGDBPPPYBG-ABEINVJOSA-N |
| Literature Reference Author | A.M.BALDE,S.APERS,T.DEBRUYNE,H.VANDENHEUVEL,M.CLAEYS,A.J.VLI ETINCK,L.PIETERS |
| Literature Reference Citation | PLANTA.MED.,66,67(2000) |
| Literature Reference DOI | 10.1055/s-2000-11120 |
| Molecular Weight | 408.668 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1357 |