| SpectraBase Compound ID | Idp4ZunlQPm |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)11-22)20(15,2)17(24)10-16(14)19/h9,14-17,22,24,26H,3-8,10-11H2,1-2H3/t14?,15?,16?,17-,19+,20-,21+/m1/s1 |
| InChIKey | ZPWAPIVCXOUODB-DGXLPZFUSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1v1fafxNL1 |
|---|---|
| Name | 12-BETA,17-ALPHA,21-TRIHYDROXYPREGNA-4-EN-3,20-DIONE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)11-22)20(15,2)17(24)10-16(14)19/h9,14-17,22,24,26H,3-8,10-11H2,1-2H3/t14?,15?,16?,17-,19+,20-,21+/m1/s1 |
| InChIKey | ZPWAPIVCXOUODB-DGXLPZFUSA-N |
| Literature Reference Author | J.R.HANSON,A.C.HUNTER |
| Literature Reference Citation | PHYTOCHEM.,49,2359(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00327-6 |
| Molecular Weight | 362.466 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1014 |