| SpectraBase Compound ID | GzZlraQAc8K |
|---|---|
| InChI | InChI=1S/C30H42O5/c1-18(28(33)34-6)7-12-27(35-20(3)31)19(2)24-10-11-25-23-9-8-21-17-22(32)13-15-29(21,4)26(23)14-16-30(24,25)5/h7,13,15,17,19,23-27H,8-12,14,16H2,1-6H3/b18-7+/t19-,23-,24+,25-,26-,27-,29-,30+/m0/s1 |
| InChIKey | CJXWFEZBFQONFN-AZMLVGSNSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C30H42O5 |
| Exact Mass | 482.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Av5Cs3VJ84Y |
|---|---|
| Name | METHYL-(22-R,24-E)-22-ACETOXY-3-OXOCHOLESTA-1,4,24-TRIEN-26-OATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O5 |
| InChI | InChI=1S/C30H42O5/c1-18(28(33)34-6)7-12-27(35-20(3)31)19(2)24-10-11-25-23-9-8-21-17-22(32)13-15-29(21,4)26(23)14-16-30(24,25)5/h7,13,15,17,19,23-27H,8-12,14,16H2,1-6H3/b18-7+/t19-,23-,24+,25-,26-,27-,29-,30+/m0/s1 |
| InChIKey | CJXWFEZBFQONFN-AZMLVGSNSA-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 | 482.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12134 |