![[5-BETA,7-ALPHA,7-BETA-(2)H(3)]-2-BETA,3-BETA-DIHYDROXY-5-BETA-CHOLESTAN-6-ONE](/api/spectrum/Byj5lW6ccN/structure.png?h=300&w=458 "[5-BETA,7-ALPHA,7-BETA-(2)H(3)]-2-BETA,3-BETA-DIHYDROXY-5-BETA-CHOLESTAN-6-ONE")
| SpectraBase Compound ID | LMFj2ZnAHC0 |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h16-22,24-25,29-30H,6-15H2,1-5H3/t17-,18?,19?,20?,21?,22+,24-,25+,26-,27-/m1/s1 |
| InChIKey | KIKODPSBQXENPH-JZVYLVJTSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Byj5lW6ccN |
|---|---|
| Name | [5-BETA,7-ALPHA,7-BETA-(2)H(3)]-2-BETA,3-BETA-DIHYDROXY-5-BETA-CHOLESTAN-6-ONE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h16-22,24-25,29-30H,6-15H2,1-5H3/t17-,18?,19?,20?,21?,22+,24-,25+,26-,27-/m1/s1 |
| InChIKey | KIKODPSBQXENPH-JZVYLVJTSA-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 | 418.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2133 |