| SpectraBase Compound ID | 9pGANcljDla |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-4-13-18(24)19(25)17-16-14(6-8-21(13,17)3)20(2)7-5-12(22)9-11(20)10-15(16)23/h9,13-17,19,23,25H,4-8,10H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21+/m0/s1 |
| InChIKey | BVFSMCURQWGSNJ-CBACECEGSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bs7SIJ2CGJQ |
|---|---|
| Name | 7-BETA,15-BETA-DI-HYDROXYPREGN-4-ENE-3,16-DIONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-4-13-18(24)19(25)17-16-14(6-8-21(13,17)3)20(2)7-5-12(22)9-11(20)10-15(16)23/h9,13-17,19,23,25H,4-8,10H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21+/m0/s1 |
| InChIKey | BVFSMCURQWGSNJ-CBACECEGSA-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 | 346.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP224 |