| SpectraBase Compound ID | I1ckbn6UwIf |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h16-17,19-25,30H,7-15,18H2,1-6H3/t20?,21-,22-,23?,24?,25?,26+,27+,28+,29-/m0/s1 |
| InChIKey | ATCFNZAMMARYGL-KQIZONKSSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TZjYGhLWLv |
|---|---|
| Name | 5-ALPHA,8-ALPHA-EPIDIOXY-24(S)-ETHYLCHOLEST-6-EN-3-BETA-OL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h16-17,19-25,30H,7-15,18H2,1-6H3/t20?,21-,22-,23?,24?,25?,26+,27+,28+,29-/m0/s1 |
| InChIKey | ATCFNZAMMARYGL-KQIZONKSSA-N |
| Literature Reference Author | A.GAUVIN,J.SMADJA,M.AKNIN,R.FAURE,E.M.GAYDOU |
| Literature Reference Citation | CAN.J.CHEM.,78,986(2000) |
| Literature Reference DOI | 10.1139/cjc-78-7-986 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI577 |