| SpectraBase Compound ID | CFMX85vF0XI |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h9,14-16,18-19,24H,4-8,10-11H2,1-3H3/t14-,15-,16-,18-,19+,20-,21+/m0/s1 |
| InChIKey | RTEFBYKMZREDFG-TWUNARIMSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HhpmfvTDmy |
|---|---|
| Name | 7-BETA-HYDROXYPREGN-4-ENE-3,16-DIONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h9,14-16,18-19,24H,4-8,10-11H2,1-3H3/t14-,15-,16-,18-,19+,20-,21+/m0/s1 |
| InChIKey | RTEFBYKMZREDFG-TWUNARIMSA-N |
| Literature Reference Author | A.U.RAHMAN,M.I.CHOUDHARY,F.SHAHEEN,M.ASHRAF,S.JAHAN |
| Literature Reference Citation | J.NAT.PROD.,61,428(1998) |
| Literature Reference DOI | 10.1021/np970473s |
| Molecular Weight | 330.467 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWKP223 |