| SpectraBase Compound ID | HOOuJpEB0aG |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-15(14-28)5-8-21(30)16(2)24-22(31)12-20-19-7-6-17-11-18(29)9-10-26(17,3)25(19)23(32)13-27(20,24)4/h11,15-16,19-25,28,30-32H,5-10,12-14H2,1-4H3/t15-,16-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m1/s1 |
| InChIKey | JHLSUTBFCZDHNF-ITIAZKFUSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CG025zkmVOo |
|---|---|
| Name | PENTANDROGENIN-A;(22S,25S)-11-ALPHA,16-BETA,22,26-TETRAHYDROXY-CHOLEST-4-EN-3-ONE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-15(14-28)5-8-21(30)16(2)24-22(31)12-20-19-7-6-17-11-18(29)9-10-26(17,3)25(19)23(32)13-27(20,24)4/h11,15-16,19-25,28,30-32H,5-10,12-14H2,1-4H3/t15-,16-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m1/s1 |
| InChIKey | JHLSUTBFCZDHNF-ITIAZKFUSA-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 | 448.643 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30094 |