| SpectraBase Compound ID | B9Jd08LsSv |
|---|---|
| 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/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | AHWOEMBXZXGDBQ-MERCMEHUSA-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 | 5Z13AiNj7WT |
|---|---|
| Name | ERGOSTA-7,22-DIEN-3-ONE |
| 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/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | AHWOEMBXZXGDBQ-MERCMEHUSA-N |
| Literature Reference Author | H.H.KO,C.F.HUNG,J.P.WANG,C.N.LIN |
| Literature Reference Citation | PHYTOCHEM.,69,234(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.06.008 |
| Molecular Weight | 396.657 g/mol |
| Sample ID | 44217 |
| Solvent | CDCl3 |