| SpectraBase Compound ID | 805gtRpHQNk |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)25-23(29)14-22-20-10-9-18-13-19(28)11-12-26(18,4)21(20)15-24(30)27(22,25)5/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | VKIRCURQURVPKO-CLQSCHHPSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Cte9HCDoyC |
|---|---|
| Name | PENTANDROGENIN-B;(25S)-12-ALPHA,16-BETA-DIHYDROXY-CHOLEST-4-EN-3-ONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)25-23(29)14-22-20-10-9-18-13-19(28)11-12-26(18,4)21(20)15-24(30)27(22,25)5/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | VKIRCURQURVPKO-CLQSCHHPSA-N |
| Literature Reference Author | A.I.HAMED,W.OLESZEK,A.STOCHMAL,C.PIZZA,S.PIACENTE |
| Literature Reference Citation | PHYTOCHEM.,65,2935(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.07.003 |
| Molecular Weight | 416.645 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30095 |