| SpectraBase Compound ID | 2qPJomCJneR |
|---|---|
| InChI | InChI=1S/C24H32O5/c1-6-28-21(25)14-15-24(5,27)22(26)29-20-16-17(2)12-13-19(20)23(3,4)18-10-8-7-9-11-18/h7-11,17,19-20,27H,6,12-13,16H2,1-5H3/t17-,19-,20-,24?/m1/s1 |
| InChIKey | FULPVROKIOZNRB-YHWWLGBJSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C24H32O5 |
| Exact Mass | 400.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Htj6n211eZ9 |
|---|---|
| Name | (2S)-ETHYL-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-2-HYDROXY-2-METHYL-3-PENTYNDIOATE |
| CAS Registry Number | 139944-73-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H32O5 |
| InChI | InChI=1S/C24H32O5/c1-6-28-21(25)14-15-24(5,27)22(26)29-20-16-17(2)12-13-19(20)23(3,4)18-10-8-7-9-11-18/h7-11,17,19-20,27H,6,12-13,16H2,1-5H3/t17-,19-,20-,24?/m1/s1 |
| InChIKey | FULPVROKIOZNRB-YHWWLGBJSA-N |
| Literature Reference Author | M.Y.CHEN,J.M.FANG |
| Literature Reference Citation | J.ORG.CHEM.,57,2937(1992) |
| Literature Reference DOI | 10.1021/jo00036a034 |
| Molecular Weight | 400.515 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4066 |