| SpectraBase Compound ID | 3kk4DSdJ8qM |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-4-20-16(19)10-7-12(2)13-8-9-14-15(18)6-5-11-17(13,14)3/h7,10,12-15,18H,4-6,8-9,11H2,1-3H3/b10-7+/t12-,13-,14+,15+,17-/m1/s1 |
| InChIKey | CSCUJPIKRQVIJC-XJLUWEFLSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtXuAWN2oe |
|---|---|
| Name | ETHYL-(22-E)-DE-A,B-8-HYDROXYCHOL-22-EN-24-ATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-4-20-16(19)10-7-12(2)13-8-9-14-15(18)6-5-11-17(13,14)3/h7,10,12-15,18H,4-6,8-9,11H2,1-3H3/b10-7+/t12-,13-,14+,15+,17-/m1/s1 |
| InChIKey | CSCUJPIKRQVIJC-XJLUWEFLSA-N |
| Literature Reference Author | E.MOMAN,D.NICOLETTI,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,8,1249(2006) |
| Literature Reference DOI | 10.1021/ol060231w |
| Molecular Weight | 280.408 g/mol |
| Sample ID | 39981 |
| Solvent | CDCl3 |