![[3-ALPHA-(2)H]-3-BETA-HYDROXY-5-BETA-CHOLESTAN-6-ONE](/api/spectrum/4y2lZDF5f0G/structure.png?h=300&w=458 "[3-ALPHA-(2)H]-3-BETA-HYDROXY-5-BETA-CHOLESTAN-6-ONE")
| SpectraBase Compound ID | IVqvIEFdbyF |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21?,22?,23?,24+,26-,27-/m1/s1 |
| InChIKey | JQMQKOQOLPGBBE-UIAKCFTASA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4y2lZDF5f0G |
|---|---|
| Name | [3-ALPHA-(2)H]-3-BETA-HYDROXY-5-BETA-CHOLESTAN-6-ONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21?,22?,23?,24+,26-,27-/m1/s1 |
| InChIKey | JQMQKOQOLPGBBE-UIAKCFTASA-N |
| Literature Reference Author | R.HYODO,Y.FUJIMOTO |
| Literature Reference Citation | PHYTOCHEM.,53,733(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00018-2 |
| Molecular Weight | 402.661 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2131 |