| SpectraBase Compound ID | 2D0RTwwocKY |
|---|---|
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,23-26H,10-17H2,1-6H3/b8-7+/t19-,20?,23?,24?,25?,26?,27+,28-/m1/s1 |
| InChIKey | YMVBULOCAFIXED-ASDDDASTSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6I4G8pScoGF |
|---|---|
| Name | BRASSICASTERONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,23-26H,10-17H2,1-6H3/b8-7+/t19-,20?,23?,24?,25?,26?,27+,28-/m1/s1 |
| InChIKey | YMVBULOCAFIXED-ASDDDASTSA-N |
| Literature Reference Author | A.ULUBELEN,N.TAN,U.SOENMEZ,G.TOPCU |
| Literature Reference Citation | PHYTOCHEM.,47,899(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00540-2 |
| Molecular Weight | 396.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS412 |