| SpectraBase Compound ID | AbGKbRVm83I |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-20-8-6-15-13(14(20)3-4-16(20)19(25)11-22)10-18(24)17-9-12(23)5-7-21(15,17)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13?,14?,15?,16-,18-,20+,21-/m1/s1 |
| InChIKey | NCYJPPVFCXZXCE-UXUIEUEBSA-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 | 1nHWfdTWPNS |
|---|---|
| Name | 6-BETA,21-DIHYDROXYPREGNA-4-EN-3,20-DIONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-20-8-6-15-13(14(20)3-4-16(20)19(25)11-22)10-18(24)17-9-12(23)5-7-21(15,17)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13?,14?,15?,16-,18-,20+,21-/m1/s1 |
| InChIKey | NCYJPPVFCXZXCE-UXUIEUEBSA-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 | 346.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1010 |