| SpectraBase Compound ID | 9XxiHMkokaN |
|---|---|
| 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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24+,25?,26?,27-,28+/m0/s1 |
| InChIKey | DNVPQKQSNYMLRS-ZQKIIUQQSA-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 | 59M1B890GHV |
|---|---|
| Name | ERGOSTEROL |
| Compound Number | 1 |
| 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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24+,25?,26?,27-,28+/m0/s1 |
| InChIKey | DNVPQKQSNYMLRS-ZQKIIUQQSA-N |
| Literature Reference Author | V.CHOBOT,L.OPLETAL,L.JAHODAR,A.V.PATEL,C.G.DACKE,G.BLUNDEN |
| Literature Reference Citation | PHYTOCHEM.,45,1669(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00249-5 |
| Molecular Weight | 396.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP392 |