| SpectraBase Compound ID | L8ZzqKkQOrL |
|---|---|
| InChI | InChI=1S/C28H42O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h12,14,17-18,22-25,30H,3,7-11,13,15-16H2,1-2,4-6H3/t22-,23-,24-,25-,26-,27-,28?/m0/s1 |
| InChIKey | POHAELYSNDHUQG-DZHAIUNBSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C28H42O2 |
| Exact Mass | 410.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5LaiDCm9xA |
|---|---|
| Name | (20-S)-20-HYDROXY-ERGOSTA-1,4,24(28)-TRIEN-3-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O2 |
| InChI | InChI=1S/C28H42O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h12,14,17-18,22-25,30H,3,7-11,13,15-16H2,1-2,4-6H3/t22-,23-,24-,25-,26-,27-,28?/m0/s1 |
| InChIKey | POHAELYSNDHUQG-DZHAIUNBSA-N |
| Literature Reference Author | G.G.MELLADO,E.ZUBIA,M.J.ORTEGA,P.J.LOPEZ-GONZALEZ |
| Literature Reference Citation | J.NAT.PROD.,68,1111(2005) |
| Literature Reference DOI | 10.1021/np050080q |
| Molecular Weight | 410.640 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12135 |