| SpectraBase Compound ID | GwIJoElWug6 |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-20-6-5-11(23)7-15(20)16(24)8-12-13-3-4-14(18(26)10-22)21(13,2)9-17(25)19(12)20/h7,12-14,16-17,19,22,24-25H,3-6,8-10H2,1-2H3/t12?,13?,14-,16-,17-,19?,20+,21+/m1/s1 |
| InChIKey | BSVNAPJPBOKGSU-BPQBUXCXSA-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 | 73MB3Yw07Tg |
|---|---|
| Name | 6-BETA,11-ALPHA,21-TRIHYDROXYPREGNA-4-EN-3,20-DIONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-20-6-5-11(23)7-15(20)16(24)8-12-13-3-4-14(18(26)10-22)21(13,2)9-17(25)19(12)20/h7,12-14,16-17,19,22,24-25H,3-6,8-10H2,1-2H3/t12?,13?,14-,16-,17-,19?,20+,21+/m1/s1 |
| InChIKey | BSVNAPJPBOKGSU-BPQBUXCXSA-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 | UWLU1012 |