| SpectraBase Compound ID | JMch0MeCm4X |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | BVAYTJBBDODANA-OBQKJFGGSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1P8wE9JrgVa |
|---|---|
| Name | 17-ALPHA,21-DIHYDROXYPREGNA-1,4-DIEN-3,20-DION |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | BVAYTJBBDODANA-OBQKJFGGSA-N |
| Literature Reference Author | M.D.GONZALEZ,G.BURTON |
| Literature Reference Citation | ORG.MAGN.RES.,22,586(1984) |
| Literature Reference DOI | 10.1002/mrc.1270220914 |
| Molecular Weight | 344.451 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW12727 |