| SpectraBase Compound ID | 7XI9y88Cwm9 |
|---|---|
| InChI | InChI=1S/C28H42O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h13,15,17-19,22-25H,6-12,14,16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | AXNGNMFNKLCSSZ-LUGLCAACSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C28H42O3 |
| Exact Mass | 426.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeBCscW0ke3 |
|---|---|
| Name | METHYL_3-OXOCHOLESTA-1,4-DIEN-26-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O3 |
| InChI | InChI=1S/C28H42O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h13,15,17-19,22-25H,6-12,14,16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | AXNGNMFNKLCSSZ-LUGLCAACSA-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 | 426.640 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12132 |